1-(3,4-dimethylphenyl)-3-methyl-4-nitro-butan-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-methyl-4-nitro-butan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-methyl-4-nitro-butan-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-methyl-4-nitro-1-butanone IUPAC Name: 1-(3,4-dimethylphenyl)-3-methyl-4-nitrobutan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-methyl-4-nitro-butan-1-one Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-9(8-14(16)17)6-13(15)12-5-4-10(2)11(3)7-12/h4-5,7,9H,6,8H2,1-3H3