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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C31H22BrN3O5 MolecularWeight: 596.42748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C31H22BrN3O5/c1-19-27(23-14-8-9-15-25(23)33-28(19)20-10-4-2-5-11-20)31(37)40-29(21-12-6-3-7-13-21)30(36)34-26-17-16-22(35(38)39)18-24(26)32/h2-18,29H,1H3,(H,34,36)