[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C17H14N4O3/c1-12-2-4-13(5-3-12)16(22)10-24-17(23)14-6-8-15(9-7-14)21-11-18-19-20-21/h2-9,11H,10H2,1H3