methyl 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzoate

Systemtic Name: methyl 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzoate Openeye Name: methyl 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzoate CAS Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzoate Traditional Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzoic acid methyl ester Formula: C17H15N3O2 MolecularWeight: 293.3199

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C17H15N3O2/c1-22-17(21)16-5-3-2-4-15(16)14-8-6-13(7-9-14)10-20-12-18-11-19-20/h2-9,11-12H,10H2,1H3