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

Systemtic Name: (3aS,7aS)-5-methyl-2-(4-nitro-2-oxidanyl-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-2-(2-hydroxy-4-nitro-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-2-(2-hydroxy-4-nitrophenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-2-(2-hydroxy-4-nitrophenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-2-(2-hydroxy-4-nitro-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C15H14N2O5 MolecularWeight: 302.28206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5/c1-8-2-4-10-11(6-8)15(20)16(14(10)19)12-5-3-9(17(21)22)7-13(12)18/h2-3,5,7,10-11,18H,4,6H2,1H3/t10-,11-/m0/s1