2-[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[4-[methyl-(phenylmethyl)amino]-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[4-[benzyl(methyl)amino]-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)N3C(=O)C4CCCCC4C3=O)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)N3C(=O)C4CCCCC4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-23(14-15-7-3-2-4-8-15)19-12-11-16(13-20(19)25(28)29)24-21(26)17-9-5-6-10-18(17)22(24)27/h2-4,7-8,11-13,17-18H,5-6,9-10,14H2,1H3