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

Systemtic Name: 2,2-dimethyl-3-oxidanylidene-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid Openeye Name: 2,2-dimethyl-3-oxo-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid CAS Name: 2,2-dimethyl-3-oxo-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid IUPAC Name: 2,2-dimethyl-3-oxo-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid Traditional Name: 3-keto-2,2-dimethyl-3-[4-(1,2,4-triazol-1-yl)phenyl]propionic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3/c1-13(2,12(18)19)11(17)9-3-5-10(6-4-9)16-8-14-7-15-16/h3-8H,1-2H3,(H,18,19)