1-[2-(4-nitrophenyl)ethyl]-4-oxidanylidene-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid

Systemtic Name: 1-[2-(4-nitrophenyl)ethyl]-4-oxidanylidene-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid Openeye Name: 1-[2-(4-nitrophenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid CAS Name: 1-[2-(4-nitrophenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid IUPAC Name: 1-[2-(4-nitrophenyl)ethyl]-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid Traditional Name: 4-keto-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=C1N(C=C2C(=O)O)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=O)C2=C1N(C=C2C(=O)O)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5/c20-15-14-12(16(21)22)9-18(13(14)5-7-17-15)8-6-10-1-3-11(4-2-10)19(23)24/h1-4,9H,5-8H2,(H,17,20)(H,21,22)