4-[[(4-chloranyl-1H-pyrazol-5-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-chloranyl-1H-pyrazol-5-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-chloro-1H-pyrazole-5-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(4-chloro-1H-pyrazol-5-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-chloro-1H-pyrazole-5-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-chloro-1H-pyrazole-5-carbonyl)amino]methyl]benzoic acid Formula: C12H10ClN3O3 MolecularWeight: 279.6791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=C(C=NN2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=C(C=NN2)Cl)C(=O)O

InChI

InChI=1S/C12H10ClN3O3/c13-9-6-15-16-10(9)11(17)14-5-7-1-3-8(4-2-7)12(18)19/h1-4,6H,5H2,(H,14,17)(H,15,16)(H,18,19)