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

Systemtic Name: (3aR,7aR)-5,6-dimethyl-2-(4-methyl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aR,7aR)-5,6-dimethyl-2-(4-methyl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aR,7aR)-5,6-dimethyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aR,7aR)-5,6-dimethyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aR,7aR)-5,6-dimethyl-2-(4-methyl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O4/c1-9-4-5-12(8-15(9)19(22)23)18-16(20)13-6-10(2)11(3)7-14(13)17(18)21/h4-5,8,13-14H,6-7H2,1-3H3/t13-,14-/m1/s1