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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(N=N2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN(N=N2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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