[2-oxidanylidene-2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=[N+](C=C2)[O-]

Isomeric SMILES

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

InChI

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