1-(3-methylphenyl)-2,2-dinitro-propan-1-one

Systemtic Name: 1-(3-methylphenyl)-2,2-dinitro-propan-1-one Openeye Name: 1-(m-tolyl)-2,2-dinitro-propan-1-one CAS Name: 1-(3-methylphenyl)-2,2-dinitro-1-propanone IUPAC Name: 1-(3-methylphenyl)-2,2-dinitropropan-1-one Traditional Name: 1-(m-tolyl)-2,2-dinitro-propan-1-one Formula: C10H10N2O5 MolecularWeight: 238.1968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O5/c1-7-4-3-5-8(6-7)9(13)10(2,11(14)15)12(16)17/h3-6H,1-2H3