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

Systemtic Name: 3-oxidanylidene-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid Openeye Name: 3-oxo-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid CAS Name: 3-oxo-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid IUPAC Name: 3-oxo-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid Traditional Name: 3-keto-3-[4-(1,2,4-triazol-1-yl)phenyl]propionic acid Formula: C11H9N3O3 MolecularWeight: 231.20746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(=O)O)N2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(=O)O)N2C=NC=N2

InChI

InChI=1S/C11H9N3O3/c15-10(5-11(16)17)8-1-3-9(4-2-8)14-7-12-6-13-14/h1-4,6-7H,5H2,(H,16,17)