3,5-bis(chloranyl)-2-(3-pyrazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-(3-pyrazol-1-ylpropanoylamino)benzoic acid Openeye Name: 3,5-dichloro-2-(3-pyrazol-1-ylpropanoylamino)benzoic acid CAS Name: 3,5-dichloro-2-[[1-oxo-3-(1-pyrazolyl)propyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-(3-pyrazol-1-ylpropanoylamino)benzoic acid Traditional Name: 3,5-dichloro-2-(3-pyrazol-1-ylpropanoylamino)benzoic acid Formula: C13H11Cl2N3O3 MolecularWeight: 328.15074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCC(=O)NC2=C(C=C(C=C2C(=O)O)Cl)Cl

Isomeric SMILES

C1=CN(N=C1)CCC(=O)NC2=C(C=C(C=C2C(=O)O)Cl)Cl

InChI

InChI=1S/C13H11Cl2N3O3/c14-8-6-9(13(20)21)12(10(15)7-8)17-11(19)2-5-18-4-1-3-16-18/h1,3-4,6-7H,2,5H2,(H,17,19)(H,20,21)