4-(2-pyrazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 4-(2-pyrazol-1-ylpropanoylamino)benzoic acid Openeye Name: 4-(2-pyrazol-1-ylpropanoylamino)benzoic acid CAS Name: 4-[[1-oxo-2-(1-pyrazolyl)propyl]amino]benzoic acid IUPAC Name: 4-(2-pyrazol-1-ylpropanoylamino)benzoic acid Traditional Name: 4-(2-pyrazol-1-ylpropanoylamino)benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C=CC=N2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C=CC=N2

InChI

InChI=1S/C13H13N3O3/c1-9(16-8-2-7-14-16)12(17)15-11-5-3-10(4-6-11)13(18)19/h2-9H,1H3,(H,15,17)(H,18,19)