2-[4-[4,4-dimethyl-2-[(3-nitrophenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4,4-dimethyl-2-[(3-nitrophenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4,4-dimethyl-2-(3-nitroanilino)-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4,4-dimethyl-2-(3-nitroanilino)-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4,4-dimethyl-2-(3-nitroanilino)-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[6-keto-4,4-dimethyl-2-(3-nitroanilino)cyclohexen-1-yl]butyl]isoindoline-1,3-quinone Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H25N3O6/c1-26(2)14-20(27-16-7-5-8-17(13-16)29(34)35)23(22(31)15-26)21(30)11-6-12-28-24(32)18-9-3-4-10-19(18)25(28)33/h3-5,7-10,13,27H,6,11-12,14-15H2,1-2H3