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

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-8-ethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-8-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(p-tolyl)cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C34H25BrN2O7 MolecularWeight: 653.4755

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H25BrN2O7/c1-3-21-16-25(35)17-28-29(18-30(36-32(21)28)22-6-4-20(2)5-7-22)34(40)43-19-31(38)23-10-14-27(15-11-23)44-33(39)24-8-12-26(13-9-24)37(41)42/h4-18H,3,19H2,1-2H3