4-chloranyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonylamino]benzoic acid Openeye Name: 4-chloro-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid CAS Name: 4-chloro-2-[[(3,5-dimethyl-1H-pyrazol-4-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid Traditional Name: 4-chloro-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid Formula: C13H12ClN3O3 MolecularWeight: 293.70568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C13H12ClN3O3/c1-6-11(7(2)17-16-6)12(18)15-10-5-8(14)3-4-9(10)13(19)20/h3-5H,1-2H3,(H,15,18)(H,16,17)(H,19,20)