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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3/c1-12-3-5-14(6-4-12)17(23)13(2)25-18(24)15-7-9-16(10-8-15)22-11-19-20-21-22/h3-11,13H,1-2H3