(1R,5S)-3,3-dimethyl-6-(4-nitrophenyl)bicyclo[3.1.0]hexane-2,4-dione

Systemtic Name: (1R,5S)-3,3-dimethyl-6-(4-nitrophenyl)bicyclo[3.1.0]hexane-2,4-dione Openeye Name: (1R,5S)-3,3-dimethyl-6-(4-nitrophenyl)bicyclo[3.1.0]hexane-2,4-dione CAS Name: (1R,5S)-3,3-dimethyl-6-(4-nitrophenyl)bicyclo[3.1.0]hexane-2,4-dione IUPAC Name: (1R,5S)-3,3-dimethyl-6-(4-nitrophenyl)bicyclo[3.1.0]hexane-2,4-dione Traditional Name: (1R,5S)-3,3-dimethyl-6-(4-nitrophenyl)bicyclo[3.1.0]hexane-2,4-quinone Formula: C14H13NO4 MolecularWeight: 259.25732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2C(C2C1=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=O)[C@@H]2[C@@H](C2C3=CC=C(C=C3)[N+](=O)[O-])C1=O)C

InChI

InChI=1S/C14H13NO4/c1-14(2)12(16)10-9(11(10)13(14)17)7-3-5-8(6-4-7)15(18)19/h3-6,9-11H,1-2H3/t9?,10-,11+