2-azanyl-3-oxidanyl-2-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-oxidanyl-2-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid CAS Name: 2-amino-3-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid IUPAC Name: 2-amino-3-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]propionic acid Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CO)(C(=O)O)N)N2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C(CO)(C(=O)O)N)N2C=NC=N2

InChI

InChI=1S/C11H12N4O3/c12-11(5-16,10(17)18)8-1-3-9(4-2-8)15-7-13-6-14-15/h1-4,6-7,16H,5,12H2,(H,17,18)