N-[(4-methylphenyl)methyl]-2,4-dinitro-benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2,4-dinitro-benzamide Openeye Name: 2,4-dinitro-N-(p-tolylmethyl)benzamide CAS Name: N-[(4-methylphenyl)methyl]-2,4-dinitrobenzamide IUPAC Name: N-[(4-methylphenyl)methyl]-2,4-dinitrobenzamide Traditional Name: N-(4-methylbenzyl)-2,4-dinitro-benzamide Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5/c1-10-2-4-11(5-3-10)9-16-15(19)13-7-6-12(17(20)21)8-14(13)18(22)23/h2-8H,9H2,1H3,(H,16,19)