[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C27H23N3O8 MolecularWeight: 517.48682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O8/c1-35-23-12-16(13-24(36-2)26(23)37-3)22-14-20(19-6-4-5-7-21(19)29-22)27(32)38-15-25(31)28-17-8-10-18(11-9-17)30(33)34/h4-14H,15H2,1-3H3,(H,28,31)