[6-bromanyl-2-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [6-bromanyl-2-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-3-yl] 4-nitrobenzoate Openeye Name: [6-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-bromo-2-methyl-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-oxanyl] ester IUPAC Name: [6-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl] ester Formula: C15H14BrF3N2O6 MolecularWeight: 455.18067

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)Br)NC(=O)C(F)(F)F)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(CC(O1)Br)NC(=O)C(F)(F)F)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14BrF3N2O6/c1-7-12(10(6-11(16)26-7)20-14(23)15(17,18)19)27-13(22)8-2-4-9(5-3-8)21(24)25/h2-5,7,10-12H,6H2,1H3,(H,20,23)