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

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4/c1-12(17(23)13-6-8-16(25-2)9-7-13)26-18(24)14-4-3-5-15(10-14)22-11-19-20-21-22/h3-12H,1-2H3