[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-(6-methoxy-2-naphthyl)quinoline-4-carboxylate CAS Name: 2-(6-methoxy-2-naphthalenyl)-4-quinolinecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(6-methoxy-2-naphthyl)cinchoninic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C29H21N3O6 MolecularWeight: 507.49354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H21N3O6/c1-37-23-12-11-18-13-20(10-9-19(18)14-23)27-16-25(24-7-2-3-8-26(24)31-27)29(34)38-17-28(33)30-21-5-4-6-22(15-21)32(35)36/h2-16H,17H2,1H3,(H,30,33)