4,4-dimethyl-5-nitro-1-phenyl-pentan-2-one

Systemtic Name: 4,4-dimethyl-5-nitro-1-phenyl-pentan-2-one Openeye Name: 4,4-dimethyl-5-nitro-1-phenyl-pentan-2-one CAS Name: 4,4-dimethyl-5-nitro-1-phenyl-2-pentanone IUPAC Name: 4,4-dimethyl-5-nitro-1-phenylpentan-2-one Traditional Name: 4,4-dimethyl-5-nitro-1-phenyl-pentan-2-one Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-13(2,10-14(16)17)9-12(15)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3