2-[(4-methylphenyl)methyl]-1,3-dinitro-benzene

Systemtic Name: 2-[(4-methylphenyl)methyl]-1,3-dinitro-benzene Openeye Name: 1,3-dinitro-2-(p-tolylmethyl)benzene CAS Name: 2-[(4-methylphenyl)methyl]-1,3-dinitrobenzene IUPAC Name: 2-[(4-methylphenyl)methyl]-1,3-dinitrobenzene Traditional Name: 2-(4-methylbenzyl)-1,3-dinitro-benzene Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4/c1-10-5-7-11(8-6-10)9-12-13(15(17)18)3-2-4-14(12)16(19)20/h2-8H,9H2,1H3