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

Systemtic Name: methyl 4-[[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(p-tolyl)tetrazol-2-yl]methyl]benzoate CAS Name: 4-[[5-(4-methylphenyl)-2-tetrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]benzoate Traditional Name: 4-[[5-(p-tolyl)tetrazol-2-yl]methyl]benzoic acid methyl ester Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H16N4O2/c1-12-3-7-14(8-4-12)16-18-20-21(19-16)11-13-5-9-15(10-6-13)17(22)23-2/h3-10H,11H2,1-2H3