(3,5-dimethyl-1,2,4-triazol-1-yl)methyl benzoate

Systemtic Name: (3,5-dimethyl-1,2,4-triazol-1-yl)methyl benzoate Openeye Name: (3,5-dimethyl-1,2,4-triazol-1-yl)methyl benzoate CAS Name: benzoic acid (3,5-dimethyl-1,2,4-triazol-1-yl)methyl ester IUPAC Name: (3,5-dimethyl-1,2,4-triazol-1-yl)methyl benzoate Traditional Name: benzoic acid (3,5-dimethyl-1,2,4-triazol-1-yl)methyl ester Formula: C12H13N3O2 MolecularWeight: 231.25052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=N1)C)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2/c1-9-13-10(2)15(14-9)8-17-12(16)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3