1-methyl-4-[2-(4-methylphenyl)-1,2-dinitro-ethyl]benzene

Systemtic Name: 1-methyl-4-[2-(4-methylphenyl)-1,2-dinitro-ethyl]benzene Openeye Name: 1-[1,2-dinitro-2-(p-tolyl)ethyl]-4-methyl-benzene CAS Name: 1-methyl-4-[2-(4-methylphenyl)-1,2-dinitroethyl]benzene IUPAC Name: 1-methyl-4-[2-(4-methylphenyl)-1,2-dinitroethyl]benzene Traditional Name: 1-[1,2-dinitro-2-(p-tolyl)ethyl]-4-methyl-benzene Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

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