4-oxidanylidene-4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[4-(1H-1,2,4-triazol-5-yl)anilino]butanoic acid CAS Name: 4-oxo-4-[4-(1H-1,2,4-triazol-5-yl)anilino]butanoic acid IUPAC Name: 4-oxo-4-[4-(1H-1,2,4-triazol-5-yl)anilino]butanoic acid Traditional Name: 4-keto-4-[4-(1H-1,2,4-triazol-5-yl)anilino]butyric acid Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=NN2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC=NN2)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H12N4O3/c17-10(5-6-11(18)19)15-9-3-1-8(2-4-9)12-13-7-14-16-12/h1-4,7H,5-6H2,(H,15,17)(H,18,19)(H,13,14,16)