3-pyridin-3-yl-4-[2-[2-(trifluoromethyloxy)phenyl]ethanoylamino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-pyridin-3-yl-4-[2-[2-(trifluoromethyloxy)phenyl]ethanoylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(3-pyridyl)-4-[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]-1H-pyrazole-5-carboxylic acid CAS Name: 4-[[1-oxo-2-[2-(trifluoromethoxy)phenyl]ethyl]amino]-3-(3-pyridinyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-pyridin-3-yl-4-[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(3-pyridyl)-4-[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]-1H-pyrazole-5-carboxylic acid Formula: C18H13F3N4O4 MolecularWeight: 406.31543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)NC2=C(NN=C2C3=CN=CC=C3)C(=O)O)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)NC2=C(NN=C2C3=CN=CC=C3)C(=O)O)OC(F)(F)F

InChI

InChI=1S/C18H13F3N4O4/c19-18(20,21)29-12-6-2-1-4-10(12)8-13(26)23-15-14(11-5-3-7-22-9-11)24-25-16(15)17(27)28/h1-7,9H,8H2,(H,23,26)(H,24,25)(H,27,28)