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

Systemtic Name: 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3/c1-8-12(9(2)17-16-8)7-13(18)15-11-5-3-4-10(6-11)14(19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)