4-chloranyl-3-(3-pyrazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(3-pyrazol-1-ylpropanoylamino)benzoic acid Openeye Name: 4-chloro-3-(3-pyrazol-1-ylpropanoylamino)benzoic acid CAS Name: 4-chloro-3-[[1-oxo-3-(1-pyrazolyl)propyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(3-pyrazol-1-ylpropanoylamino)benzoic acid Traditional Name: 4-chloro-3-(3-pyrazol-1-ylpropanoylamino)benzoic acid Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=CN(N=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C13H12ClN3O3/c14-10-3-2-9(13(19)20)8-11(10)16-12(18)4-7-17-6-1-5-15-17/h1-3,5-6,8H,4,7H2,(H,16,18)(H,19,20)