ethyl 6-[(3-nitrophenyl)amino]-2-oxidanyl-4-phenyl-2-(trifluoromethyl)oxane-3-carboxylate

Systemtic Name: ethyl 6-[(3-nitrophenyl)amino]-2-oxidanyl-4-phenyl-2-(trifluoromethyl)oxane-3-carboxylate Openeye Name: ethyl 2-hydroxy-6-(3-nitroanilino)-4-phenyl-2-(trifluoromethyl)tetrahydropyran-3-carboxylate CAS Name: 2-hydroxy-6-(3-nitroanilino)-4-phenyl-2-(trifluoromethyl)-3-oxanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-6-(3-nitroanilino)-4-phenyl-2-(trifluoromethyl)oxane-3-carboxylate Traditional Name: 2-hydroxy-6-(3-nitroanilino)-4-phenyl-2-(trifluoromethyl)tetrahydropyran-3-carboxylic acid ethyl ester Formula: C21H21F3N2O6 MolecularWeight: 454.39645

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(OC1(C(F)(F)F)O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(CC(OC1(C(F)(F)F)O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21F3N2O6/c1-2-31-19(27)18-16(13-7-4-3-5-8-13)12-17(32-20(18,28)21(22,23)24)25-14-9-6-10-15(11-14)26(29)30/h3-11,16-18,25,28H,2,12H2,1H3