[5-ethoxy-6-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-2-yl] 4-nitrobenzoate

Systemtic Name: [5-ethoxy-6-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-2-yl] 4-nitrobenzoate Openeye Name: [5-ethoxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-ethoxy-6-methyl-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-2-oxanyl] ester IUPAC Name: [5-ethoxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-ethoxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl] ester Formula: C17H19F3N2O7 MolecularWeight: 420.33717

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(OC(CC1NC(=O)C(F)(F)F)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC1C(OC(CC1NC(=O)C(F)(F)F)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H19F3N2O7/c1-3-27-14-9(2)28-13(8-12(14)21-16(24)17(18,19)20)29-15(23)10-4-6-11(7-5-10)22(25)26/h4-7,9,12-14H,3,8H2,1-2H3,(H,21,24)