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

Systemtic Name: 4-oxidanylidene-4-[4-(1,2,4-triazol-1-yl)phenyl]butanoic acid Openeye Name: 4-oxo-4-[4-(1,2,4-triazol-1-yl)phenyl]butanoic acid CAS Name: 4-oxo-4-[4-(1,2,4-triazol-1-yl)phenyl]butanoic acid IUPAC Name: 4-oxo-4-[4-(1,2,4-triazol-1-yl)phenyl]butanoic acid Traditional Name: 4-keto-4-[4-(1,2,4-triazol-1-yl)phenyl]butyric acid Formula: C12H11N3O3 MolecularWeight: 245.23404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3/c16-11(5-6-12(17)18)9-1-3-10(4-2-9)15-8-13-7-14-15/h1-4,7-8H,5-6H2,(H,17,18)