4-methyl-1-(3-nitrophenyl)-1-oxidanyl-pentan-3-one

Systemtic Name: 4-methyl-1-(3-nitrophenyl)-1-oxidanyl-pentan-3-one Openeye Name: 1-hydroxy-4-methyl-1-(3-nitrophenyl)pentan-3-one CAS Name: 1-hydroxy-4-methyl-1-(3-nitrophenyl)-3-pentanone IUPAC Name: 1-hydroxy-4-methyl-1-(3-nitrophenyl)pentan-3-one Traditional Name: 1-hydroxy-4-methyl-1-(3-nitrophenyl)pentan-3-one Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-8(2)11(14)7-12(15)9-4-3-5-10(6-9)13(16)17/h3-6,8,12,15H,7H2,1-2H3