2-(hydroxymethyl)-3-(5-methyl-1,2,4-triazol-1-yl)-2-phenyl-propanoate

Systemtic Name: 2-(hydroxymethyl)-3-(5-methyl-1,2,4-triazol-1-yl)-2-phenyl-propanoate Openeye Name: 2-(hydroxymethyl)-3-(5-methyl-1,2,4-triazol-1-yl)-2-phenyl-propanoate CAS Name: 2-(hydroxymethyl)-3-(5-methyl-1,2,4-triazol-1-yl)-2-phenylpropanoate IUPAC Name: 2-(hydroxymethyl)-3-(5-methyl-1,2,4-triazol-1-yl)-2-phenylpropanoate Traditional Name: 2-methylol-3-(5-methyl-1,2,4-triazol-1-yl)-2-phenyl-propionate Formula: C13H14N3O3- MolecularWeight: 260.26856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=NN1CC(CO)(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=NC=NN1CC(CO)(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H15N3O3/c1-10-14-9-15-16(10)7-13(8-17,12(18)19)11-5-3-2-4-6-11/h2-6,9,17H,7-8H2,1H3,(H,18,19)/p-1