methyl 3-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: methyl 3-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: methyl 3-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester Formula: C11H11N3O2 MolecularWeight: 217.22394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=NC=N2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=NC=N2

InChI

InChI=1S/C11H11N3O2/c1-16-11(15)10-4-2-3-9(5-10)6-14-8-12-7-13-14/h2-5,7-8H,6H2,1H3