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

Systemtic Name: [1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-14(19(26)15-8-10-17(11-9-15)21(2,3)4)28-20(27)16-6-5-7-18(12-16)25-13-22-23-24-25/h5-14H,1-4H3