2,2,3-trimethyl-1-(3-methylphenyl)-3-nitro-butan-1-one

Systemtic Name: 2,2,3-trimethyl-1-(3-methylphenyl)-3-nitro-butan-1-one Openeye Name: 2,2,3-trimethyl-1-(m-tolyl)-3-nitro-butan-1-one CAS Name: 2,2,3-trimethyl-1-(3-methylphenyl)-3-nitro-1-butanone IUPAC Name: 2,2,3-trimethyl-1-(3-methylphenyl)-3-nitrobutan-1-one Traditional Name: 2,2,3-trimethyl-1-(m-tolyl)-3-nitro-butan-1-one Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-10-7-6-8-11(9-10)12(16)13(2,3)14(4,5)15(17)18/h6-9H,1-5H3