1-methyl-2-[1-(2-methylphenyl)-2,2-dinitro-ethyl]benzene

Systemtic Name: 1-methyl-2-[1-(2-methylphenyl)-2,2-dinitro-ethyl]benzene Openeye Name: 1-[2,2-dinitro-1-(o-tolyl)ethyl]-2-methyl-benzene CAS Name: 1-methyl-2-[1-(2-methylphenyl)-2,2-dinitroethyl]benzene IUPAC Name: 1-methyl-2-[1-(2-methylphenyl)-2,2-dinitroethyl]benzene Traditional Name: 1-[2,2-dinitro-1-(o-tolyl)ethyl]-2-methyl-benzene Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2C)C([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2C)C([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-11-7-3-5-9-13(11)15(16(17(19)20)18(21)22)14-10-6-4-8-12(14)2/h3-10,15-16H,1-2H3