[4-(5-cyano-2H-1,2,3-triazol-4-yl)phenyl] 3,3-dimethylbutanoate

Systemtic Name: [4-(5-cyano-2H-1,2,3-triazol-4-yl)phenyl] 3,3-dimethylbutanoate Openeye Name: [4-(5-cyano-2H-triazol-4-yl)phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [4-(5-cyano-2H-triazol-4-yl)phenyl] ester IUPAC Name: [4-(5-cyano-2H-triazol-4-yl)phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [4-(5-cyano-2H-triazol-4-yl)phenyl] ester Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=CC=C(C=C1)C2=NNN=C2C#N

Isomeric SMILES

CC(C)(C)CC(=O)OC1=CC=C(C=C1)C2=NNN=C2C#N

InChI

InChI=1S/C15H16N4O2/c1-15(2,3)8-13(20)21-11-6-4-10(5-7-11)14-12(9-16)17-19-18-14/h4-7H,8H2,1-3H3,(H,17,18,19)