2-[(3-cyanophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(3-cyanophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(3-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid CAS Name: 2-(3-cyanoanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(3-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Formula: C13H7F3N4O2 MolecularWeight: 308.21549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=C(C(=N2)C(F)(F)F)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=C(C(=N2)C(F)(F)F)C(=O)O)C#N

InChI

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