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

Systemtic Name: N-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[[1-(p-tolyl)tetrazol-5-yl]methyl]benzamide CAS Name: N-[[1-(4-methylphenyl)-5-tetrazolyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[[1-(p-tolyl)tetrazol-5-yl]methyl]benzamide Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3/c1-11-5-7-13(8-6-11)21-15(18-19-20-21)10-17-16(23)12-3-2-4-14(9-12)22(24)25/h2-9H,10H2,1H3,(H,17,23)