(phenylmethyl) 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (phenylmethyl) 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: benzyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid benzyl ester Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H13N3O2/c20-16(21-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)19-12-17-11-18-19/h1-9,11-12H,10H2