1-(3-methyl-4-nitro-phenyl)pentan-1-one

Systemtic Name: 1-(3-methyl-4-nitro-phenyl)pentan-1-one Openeye Name: 1-(3-methyl-4-nitro-phenyl)pentan-1-one CAS Name: 1-(3-methyl-4-nitrophenyl)-1-pentanone IUPAC Name: 1-(3-methyl-4-nitrophenyl)pentan-1-one Traditional Name: 1-(3-methyl-4-nitro-phenyl)pentan-1-one Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-3-4-5-12(14)10-6-7-11(13(15)16)9(2)8-10/h6-8H,3-5H2,1-2H3