methyl 2-[5-(phenylmethyl)-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: methyl 2-[5-(phenylmethyl)-1,2,4-triazol-1-yl]ethanoate Openeye Name: methyl 2-(5-benzyl-1,2,4-triazol-1-yl)acetate CAS Name: 2-[5-(phenylmethyl)-1,2,4-triazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-(5-benzyl-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(5-benzyl-1,2,4-triazol-1-yl)acetic acid methyl ester Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NC=N1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1C(=NC=N1)CC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2/c1-17-12(16)8-15-11(13-9-14-15)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3