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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl)N2C=CC=N2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl)N2C=CC=N2

InChI

InChI=1S/C13H11Cl2N3O3/c1-7(18-4-2-3-16-18)12(19)17-11-9(13(20)21)5-8(14)6-10(11)15/h2-7H,1H3,(H,17,19)(H,20,21)