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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)CCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3/c1-9(2)12(14)8-5-10-3-6-11(7-4-10)13(15)16/h3-4,6-7,9H,5,8H2,1-2H3