3-(3-pyrazol-1-ylpropanoylamino)benzoate

Systemtic Name: 3-(3-pyrazol-1-ylpropanoylamino)benzoate Openeye Name: 3-(3-pyrazol-1-ylpropanoylamino)benzoate CAS Name: 3-[[1-oxo-3-(1-pyrazolyl)propyl]amino]benzoate IUPAC Name: 3-(3-pyrazol-1-ylpropanoylamino)benzoate Traditional Name: 3-(3-pyrazol-1-ylpropanoylamino)benzoate Formula: C13H12N3O3- MolecularWeight: 258.25268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=CC=N2)C(=O)[O-]

InChI

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