[2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-8-methyl-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)-8-methyl-cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C32H20BrClN2O7 MolecularWeight: 659.8674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H20BrClN2O7/c1-18-14-22(33)15-26-27(16-28(35-30(18)26)19-2-8-23(34)9-3-19)32(39)42-17-29(37)20-6-12-25(13-7-20)43-31(38)21-4-10-24(11-5-21)36(40)41/h2-16H,17H2,1H3