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

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-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-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-3-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C33H23BrN2O7 MolecularWeight: 639.44892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C33H23BrN2O7/c1-19-3-5-22(6-4-19)31-20(2)30(27-17-24(34)11-16-28(27)35-31)33(39)42-18-29(37)21-9-14-26(15-10-21)43-32(38)23-7-12-25(13-8-23)36(40)41/h3-17H,18H2,1-2H3