[(2S,3S,4S,6S)-6-[[3-ethanoyl-5,8-bis(oxidanylidene)-3,4-dihydro-1H-isochromen-1-yl]oxy]-2-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [(2S,3S,4S,6S)-6-[[3-ethanoyl-5,8-bis(oxidanylidene)-3,4-dihydro-1H-isochromen-1-yl]oxy]-2-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3S,4S,6S)-6-[(3-acetyl-5,8-dioxo-3,4-dihydro-1H-isochromen-1-yl)oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S,4S,6S)-6-[(3-acetyl-5,8-dioxo-3,4-dihydro-1H-2-benzopyran-1-yl)oxy]-2-methyl-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,6S)-6-[(3-acetyl-5,8-dioxo-3,4-dihydro-1H-isochromen-1-yl)oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S,4S,6S)-6-[(3-acetyl-5,8-diketo-3,4-dihydro-1H-isochromen-1-yl)oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl] ester Formula: C26H23F3N2O11 MolecularWeight: 596.46283

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C3=C(CC(O2)C(=O)C)C(=O)C=CC3=O)NC(=O)C(F)(F)F)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C3=C(CC(O2)C(=O)C)C(=O)C=CC3=O)NC(=O)C(F)(F)F)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23F3N2O11/c1-11(32)19-9-15-17(33)7-8-18(34)21(15)24(40-19)41-20-10-16(30-25(36)26(27,28)29)22(12(2)39-20)42-23(35)13-3-5-14(6-4-13)31(37)38/h3-8,12,16,19-20,22,24H,9-10H2,1-2H3,(H,30,36)/t12-,16-,19?,20-,22+,24?/m0/s1