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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-6-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-6-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C33H27N3O7 MolecularWeight: 577.58338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)N5C(=O)C6CCCCC6C5=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)N5C(=O)C6CCCCC6C5=O

InChI

InChI=1S/C33H27N3O7/c1-19-9-14-28-26(15-19)27(33(40)43-18-30(37)21-5-4-6-23(16-21)36(41)42)17-29(34-28)20-10-12-22(13-11-20)35-31(38)24-7-2-3-8-25(24)32(35)39/h4-6,9-17,24-25H,2-3,7-8,18H2,1H3