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

Systemtic Name: 4-oxidanylidene-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[4-(1,2,4-triazol-1-ylmethyl)anilino]butanoic acid CAS Name: 4-oxo-4-[4-(1,2,4-triazol-1-ylmethyl)anilino]butanoic acid IUPAC Name: 4-oxo-4-[4-(1,2,4-triazol-1-ylmethyl)anilino]butanoic acid Traditional Name: 4-keto-4-[4-(1,2,4-triazol-1-ylmethyl)anilino]butyric acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H14N4O3/c18-12(5-6-13(19)20)16-11-3-1-10(2-4-11)7-17-9-14-8-15-17/h1-4,8-9H,5-7H2,(H,16,18)(H,19,20)