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

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

Click to see the large picture

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=C(C=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=C(C=C5)[N+](=O)[O-]

InChI

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