4-(4-chlorophenyl)-5-methyl-5-nitro-hexan-2-one

Systemtic Name: 4-(4-chlorophenyl)-5-methyl-5-nitro-hexan-2-one Openeye Name: 4-(4-chlorophenyl)-5-methyl-5-nitro-hexan-2-one CAS Name: 4-(4-chlorophenyl)-5-methyl-5-nitro-2-hexanone IUPAC Name: 4-(4-chlorophenyl)-5-methyl-5-nitrohexan-2-one Traditional Name: 4-(4-chlorophenyl)-5-methyl-5-nitro-hexan-2-one Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-9(16)8-12(13(2,3)15(17)18)10-4-6-11(14)7-5-10/h4-7,12H,8H2,1-3H3