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

Systemtic Name: 5-methyl-2-(4-methyl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-methyl-2-(4-methyl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-methyl-2-(4-methyl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H16N2O4 MolecularWeight: 300.30924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-9-3-6-12-13(7-9)16(20)17(15(12)19)11-5-4-10(2)14(8-11)18(21)22/h3-5,8,12-13H,6-7H2,1-2H3