4,4-dimethyl-2-[(4-nitrophenyl)-oxidanyl-methyl]cyclopent-2-en-1-one

Systemtic Name: 4,4-dimethyl-2-[(4-nitrophenyl)-oxidanyl-methyl]cyclopent-2-en-1-one Openeye Name: 2-[hydroxy-(4-nitrophenyl)methyl]-4,4-dimethyl-cyclopent-2-en-1-one CAS Name: 2-[hydroxy-(4-nitrophenyl)methyl]-4,4-dimethyl-1-cyclopent-2-enone IUPAC Name: 2-[hydroxy-(4-nitrophenyl)methyl]-4,4-dimethylcyclopent-2-en-1-one Traditional Name: 2-[hydroxy-(4-nitrophenyl)methyl]-4,4-dimethyl-cyclopent-2-en-1-one Formula: C14H15NO4 MolecularWeight: 261.2732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4/c1-14(2)7-11(12(16)8-14)13(17)9-3-5-10(6-4-9)15(18)19/h3-7,13,17H,8H2,1-2H3