[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C32H24BrN3O7 MolecularWeight: 642.45286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C32H24BrN3O7/c1-41-28-15-12-20(16-29(28)42-2)27-18-23(22-10-6-7-11-25(22)34-27)32(38)43-30(19-8-4-3-5-9-19)31(37)35-26-14-13-21(36(39)40)17-24(26)33/h3-18,30H,1-2H3,(H,35,37)