[2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 6-bromo-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 6-bromo-2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-keto-2-[3-methyl-4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C32H22BrClN2O6 MolecularWeight: 645.88388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=C3C=C(C=CC3=NC(=C2C)C4=CC(=CC=C4)Cl)Br)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=C3C=C(C=CC3=NC(=C2C)C4=CC(=CC=C4)Cl)Br)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H22BrClN2O6/c1-18-14-20(6-13-29(18)42-25-10-8-24(9-11-25)36(39)40)28(37)17-41-32(38)30-19(2)31(21-4-3-5-23(34)15-21)35-27-12-7-22(33)16-26(27)30/h3-16H,17H2,1-2H3