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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C28H22N4O8 MolecularWeight: 542.49628

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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=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H22N4O8/c1-37-24-11-16(12-25(38-2)27(24)39-3)23-13-20(19-6-4-5-7-22(19)30-23)28(34)40-15-26(33)31-21-9-8-18(32(35)36)10-17(21)14-29/h4-13H,15H2,1-3H3,(H,31,33)