4-chloranyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid Openeye Name: 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid Traditional Name: 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3/c1-8(17-6-2-5-15-17)12(18)16-11-7-9(13(19)20)3-4-10(11)14/h2-8H,1H3,(H,16,18)(H,19,20)