1-quinoxalin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-quinoxalin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-quinoxalin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-quinoxalinyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-quinoxalin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-quinoxalin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C13H7F3N4O2 MolecularWeight: 308.21549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H7F3N4O2/c14-13(15,16)11-7(12(21)22)5-18-20(11)10-6-17-8-3-1-2-4-9(8)19-10/h1-6H,(H,21,22)