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

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-20(2,3)16-9-7-14(8-10-16)18(25)12-27-19(26)15-5-4-6-17(11-15)24-13-21-22-23-24/h4-11,13H,12H2,1-3H3