[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-ethyl-4-quinolinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-ethyl-cinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C35H30BrN3O7 MolecularWeight: 684.5326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=CC(=C(C=C6)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=CC(=C(C=C6)C)[N+](=O)[O-]

InChI

InChI=1S/C35H30BrN3O7/c1-3-20-14-23(36)16-27-28(35(43)46-18-31(40)22-9-8-19(2)30(15-22)39(44)45)17-29(37-32(20)27)21-10-12-24(13-11-21)38-33(41)25-6-4-5-7-26(25)34(38)42/h8-17,25-26H,3-7,18H2,1-2H3