[1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C15H11ClF3N3O3 MolecularWeight: 373.71435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=N1)C(F)(F)F)Cl)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=N1)C(F)(F)F)Cl)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C15H11ClF3N3O3/c1-8(25-14(24)9-3-2-4-20-6-9)13(23)22-12-11(16)5-10(7-21-12)15(17,18)19/h2-8H,1H3,(H,21,22,23)