2-[(5-nitro-2,3-dihydroindol-1-yl)carbonyl]benzoic acid

Systemtic Name: 2-[(5-nitro-2,3-dihydroindol-1-yl)carbonyl]benzoic acid Openeye Name: 2-(5-nitroindoline-1-carbonyl)benzoic acid CAS Name: 2-[(5-nitro-2,3-dihydroindol-1-yl)-oxomethyl]benzoic acid IUPAC Name: 2-(5-nitro-2,3-dihydroindole-1-carbonyl)benzoic acid Traditional Name: 2-(5-nitroindoline-1-carbonyl)benzoic acid Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H12N2O5/c19-15(12-3-1-2-4-13(12)16(20)21)17-8-7-10-9-11(18(22)23)5-6-14(10)17/h1-6,9H,7-8H2,(H,20,21)