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

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)-3-methyl-cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C33H23BrN2O8 MolecularWeight: 655.44832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H23BrN2O8/c1-19-30(27-17-23(34)9-16-28(27)35-31(19)21-7-12-25(42-2)13-8-21)33(39)43-18-29(37)20-5-14-26(15-6-20)44-32(38)22-3-10-24(11-4-22)36(40)41/h3-17H,18H2,1-2H3