3-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]propanoate

Systemtic Name: 3-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]propanoate Openeye Name: 3-[(2-phenyltriazole-4-carbonyl)amino]propanoate CAS Name: 3-[[oxo-(2-phenyl-4-triazolyl)methyl]amino]propanoate IUPAC Name: 3-[(2-phenyltriazole-4-carbonyl)amino]propanoate Traditional Name: 3-[(2-phenyltriazole-4-carbonyl)amino]propionate Formula: C12H11N4O3- MolecularWeight: 259.24074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)NCCC(=O)[O-]

InChI

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