2-[(3-chloranyl-4-cyano-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(3-chloranyl-4-cyano-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(3-chloro-4-cyano-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid CAS Name: 2-(3-chloro-4-cyanoanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3-chloro-4-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(3-chloro-4-cyano-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Formula: C13H6ClF3N4O2 MolecularWeight: 342.66055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=C(C(=N2)C(F)(F)F)C(=O)O)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=C(C(=N2)C(F)(F)F)C(=O)O)Cl)C#N

InChI

InChI=1S/C13H6ClF3N4O2/c14-9-3-7(2-1-6(9)4-18)20-12-19-5-8(11(22)23)10(21-12)13(15,16)17/h1-3,5H,(H,22,23)(H,19,20,21)