[2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-2-(3-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-chlorophenyl)-8-ethyl-3-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-(3-chlorophenyl)-8-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-chlorophenyl)-8-ethyl-3-methyl-cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C34H24BrClN2O7 MolecularWeight: 687.92056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H24BrClN2O7/c1-3-20-15-24(35)17-28-30(19(2)31(37-32(20)28)23-5-4-6-25(36)16-23)34(41)44-18-29(39)21-9-13-27(14-10-21)45-33(40)22-7-11-26(12-8-22)38(42)43/h4-17H,3,18H2,1-2H3