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

Systemtic Name: 2-[4-[(4-methylphenyl)methylamino]-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-nitro-4-(p-tolylmethylamino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-[(4-methylphenyl)methylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-[(4-methylphenyl)methylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-[(4-methylbenzyl)amino]-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c1-14-6-8-15(9-7-14)13-23-19-11-10-16(12-20(19)25(28)29)24-21(26)17-4-2-3-5-18(17)22(24)27/h2-3,6-12,17-18,23H,4-5,13H2,1H3