5,5-dimethyl-2-[2-(2-nitrophenyl)-1-oxidanyl-ethylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-(2-nitrophenyl)-1-oxidanyl-ethylidene]cyclohexane-1,3-dione Openeye Name: 2-[1-hydroxy-2-(2-nitrophenyl)ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1-hydroxy-2-(2-nitrophenyl)ethylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[1-hydroxy-2-(2-nitrophenyl)ethylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[1-hydroxy-2-(2-nitrophenyl)ethylidene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C16H17NO5 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(CC2=CC=CC=C2[N+](=O)[O-])O)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(CC2=CC=CC=C2[N+](=O)[O-])O)C(=O)C1)C

InChI

InChI=1S/C16H17NO5/c1-16(2)8-13(19)15(14(20)9-16)12(18)7-10-5-3-4-6-11(10)17(21)22/h3-6,18H,7-9H2,1-2H3