3-(4-hydroxyphenyl)-2-[2-(1,2,4-triazol-1-yl)ethanoylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[2-(1,2,4-triazol-1-yl)ethanoylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propionic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN2C=NC=N2)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN2C=NC=N2)O

InChI

InChI=1S/C13H14N4O4/c18-10-3-1-9(2-4-10)5-11(13(20)21)16-12(19)6-17-8-14-7-15-17/h1-4,7-8,11,18H,5-6H2,(H,16,19)(H,20,21)