(3,3-dimethyl-2-oxidanylidene-butyl) 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)N2C=NN=N2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)N2C=NN=N2

InChI

InChI=1S/C14H16N4O3/c1-14(2,3)12(19)8-21-13(20)10-5-4-6-11(7-10)18-9-15-16-17-18/h4-7,9H,8H2,1-3H3