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

Systemtic Name: 4-chloranyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]benzoic acid Formula: C14H14ClN3O3 MolecularWeight: 307.73226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O3/c1-7-10(8(2)18-17-7)6-13(19)16-12-5-9(14(20)21)3-4-11(12)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)