1-(2-methyl-3-nitro-phenyl)pentan-3-one

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)pentan-3-one Openeye Name: 1-(2-methyl-3-nitro-phenyl)pentan-3-one CAS Name: 1-(2-methyl-3-nitrophenyl)-3-pentanone IUPAC Name: 1-(2-methyl-3-nitrophenyl)pentan-3-one Traditional Name: 1-(2-methyl-3-nitro-phenyl)pentan-3-one Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-3-11(14)8-7-10-5-4-6-12(9(10)2)13(15)16/h4-6H,3,7-8H2,1-2H3