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

Systemtic Name: 2-[4-(2,2-diphenylethylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(2,2-diphenylethylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(2,2-diphenylethylamino)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(2,2-diphenylethylamino)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(2,2-diphenylethylamino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C28H25N3O4 MolecularWeight: 467.5158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O4/c32-27-22-13-7-8-14-23(22)28(33)30(27)21-15-16-25(26(17-21)31(34)35)29-18-24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-12,15-17,22-24,29H,13-14,18H2