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

Systemtic Name: 4,4-dimethyl-1-(2-methyl-3-nitro-phenyl)pentan-3-one Openeye Name: 4,4-dimethyl-1-(2-methyl-3-nitro-phenyl)pentan-3-one CAS Name: 4,4-dimethyl-1-(2-methyl-3-nitrophenyl)-3-pentanone IUPAC Name: 4,4-dimethyl-1-(2-methyl-3-nitrophenyl)pentan-3-one Traditional Name: 4,4-dimethyl-1-(2-methyl-3-nitro-phenyl)pentan-3-one Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-10-11(6-5-7-12(10)15(17)18)8-9-13(16)14(2,3)4/h5-7H,8-9H2,1-4H3