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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3/c1-15(2,3)13(19)8-21-14(20)11-4-6-12(7-5-11)18-10-16-9-17-18/h4-7,9-10H,8H2,1-3H3