[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-3-carboxylate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C21H14ClF3N2O3 MolecularWeight: 434.79567

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H14ClF3N2O3/c22-16-9-8-15(21(23,24)25)11-17(16)27-19(28)18(13-5-2-1-3-6-13)30-20(29)14-7-4-10-26-12-14/h1-12,18H,(H,27,28)