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

Systemtic Name: 4-methyl-1-(2-methyl-3-nitro-phenyl)pentan-3-one Openeye Name: 4-methyl-1-(2-methyl-3-nitro-phenyl)pentan-3-one CAS Name: 4-methyl-1-(2-methyl-3-nitrophenyl)-3-pentanone IUPAC Name: 4-methyl-1-(2-methyl-3-nitrophenyl)pentan-3-one Traditional Name: 4-methyl-1-(2-methyl-3-nitro-phenyl)pentan-3-one Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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