3-oxidanyl-2-[(1-phenylpyrazol-4-yl)carbonylamino]propanoic acid

Systemtic Name: 3-oxidanyl-2-[(1-phenylpyrazol-4-yl)carbonylamino]propanoic acid Openeye Name: 3-hydroxy-2-[(1-phenylpyrazole-4-carbonyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(1-phenylpyrazole-4-carbonyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[(1-phenylpyrazole-4-carbonyl)amino]propionic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H13N3O4/c17-8-11(13(19)20)15-12(18)9-6-14-16(7-9)10-4-2-1-3-5-10/h1-7,11,17H,8H2,(H,15,18)(H,19,20)