N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide CAS Name: N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dinitrobenzamide IUPAC Name: N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide Formula: C17H13N5O6 MolecularWeight: 383.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O6/c1-10-2-4-11(5-3-10)17-19-15(20-28-17)9-18-16(23)12-6-13(21(24)25)8-14(7-12)22(26)27/h2-8H,9H2,1H3,(H,18,23)