2-[4-(3,3-diphenylpropylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(3,3-diphenylpropylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(3,3-diphenylpropylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(3,3-diphenylpropylamino)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(3,3-diphenylpropylamino)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(3,3-diphenylpropylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H27N3O4/c33-28-24-13-7-8-14-25(24)29(34)31(28)22-15-16-26(27(19-22)32(35)36)30-18-17-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-12,15-16,19,23-25,30H,13-14,17-18H2