[2-oxidanylidene-2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] ester Formula: C18H17F3N2O5 MolecularWeight: 398.33319

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H17F3N2O5/c1-2-9-27-15-7-6-12(18(19,20)21)10-13(15)22-16(24)11-28-17(25)14-5-3-4-8-23(14)26/h3-8,10H,2,9,11H2,1H3,(H,22,24)