| Sonrisas canónicas | CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1C(=O)OCC |
|---|---|
| IUPAC Name | ethyl 1-ethyl-5-nitroindole-2-carboxylate |
| InChIKey | WDFFCCSGOPZWDE-UHFFFAOYSA-N |
| INCHI | 1S/C13H14N2O4/c1-3-14-11-6-5-10(15(17)18)7-9(11)8-12(14)13(16)19-4-2/h5-8H,3-4H2,1-2H3 |
| Isómeros SMILES | CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1C(=O)OCC |
| PubChem CID | 12148796 |
| Peso molecular | 262.27 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | N-alkylindoles Indoles Pyrrole carboxylic acids and derivatives Nitroaromatic compounds Substituted pyrroles Benzenoids Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid derivative - N-alkylindole - Indole - Nitroaromatic compound - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| External Descriptors | Not available |
| Peso molecular | 262.260 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 262.095 Da |
| Monoisotopic Mass | 262.095 Da |
| Topological Polar Surface Area | 77.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 355.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
