3-oxidanyl-2-[(1-phenyl-1,2,3-triazol-4-yl)carbonylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[(1-phenyl-1,2,3-triazol-4-yl)carbonylamino]butanoic acid Openeye Name: 3-hydroxy-2-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[oxo-(1-phenyl-4-triazolyl)methyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(1-phenyltriazole-4-carbonyl)amino]butyric acid Formula: C13H14N4O4 MolecularWeight: 290.27466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CN(N=N1)C2=CC=CC=C2)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CN(N=N1)C2=CC=CC=C2)O

InChI

InChI=1S/C13H14N4O4/c1-8(18)11(13(20)21)14-12(19)10-7-17(16-15-10)9-5-3-2-4-6-9/h2-8,11,18H,1H3,(H,14,19)(H,20,21)