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

Systemtic Name: 5-chloranyl-N-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-nitro-benzamide Openeye Name: 5-chloro-2-nitro-N-[[1-(p-tolyl)tetrazol-5-yl]methyl]benzamide CAS Name: 5-chloro-N-[[1-(4-methylphenyl)-5-tetrazolyl]methyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-2-nitrobenzamide Traditional Name: 5-chloro-2-nitro-N-[[1-(p-tolyl)tetrazol-5-yl]methyl]benzamide Formula: C16H13ClN6O3 MolecularWeight: 372.76582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O3/c1-10-2-5-12(6-3-10)22-15(19-20-21-22)9-18-16(24)13-8-11(17)4-7-14(13)23(25)26/h2-8H,9H2,1H3,(H,18,24)