3-[(1-phenylpyrazol-4-yl)carbonylamino]propanoate

Systemtic Name: 3-[(1-phenylpyrazol-4-yl)carbonylamino]propanoate Openeye Name: 3-[(1-phenylpyrazole-4-carbonyl)amino]propanoate CAS Name: 3-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]propanoate IUPAC Name: 3-[(1-phenylpyrazole-4-carbonyl)amino]propanoate Traditional Name: 3-[(1-phenylpyrazole-4-carbonyl)amino]propionate Formula: C13H12N3O3- MolecularWeight: 258.25268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C13H13N3O3/c17-12(18)6-7-14-13(19)10-8-15-16(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,14,19)(H,17,18)/p-1