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

Systemtic Name: 2-(4-methyl-3-nitro-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(4-methyl-3-nitro-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(4-methyl-3-nitrophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(4-methyl-3-nitrophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(4-methyl-3-nitro-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4/c1-13-7-9-16(12-19(13)23(26)27)22-20(24)17-10-8-15(11-18(17)21(22)25)14-5-3-2-4-6-14/h2-7,9,12,15,17-18H,8,10-11H2,1H3