[2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C25H18BrN3O6 MolecularWeight: 536.33092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H18BrN3O6/c1-34-17-10-11-23(29(32)33)22(12-17)28-24(30)14-35-25(31)19-13-21(15-6-8-16(26)9-7-15)27-20-5-3-2-4-18(19)20/h2-13H,14H2,1H3,(H,28,30)