(3aS,7aS)-5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aS)-5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H16N2O4/c1-9-7-13-14(8-10(9)2)16(20)17(15(13)19)11-3-5-12(6-4-11)18(21)22/h3-6,13-14H,7-8H2,1-2H3/t13-,14-/m0/s1