[(2S,3R,4S,5S,6S)-3,4-diacetyloxy-6-bromanyl-5-[(2,4-dinitrophenyl)amino]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2S,3R,4S,5S,6S)-3,4-diacetyloxy-6-bromanyl-5-[(2,4-dinitrophenyl)amino]oxan-2-yl]methyl ethanoate Openeye Name: [(2S,3R,4S,5S,6S)-3,4-diacetoxy-6-bromo-5-(2,4-dinitroanilino)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2S,3R,4S,5S,6S)-3,4-diacetyloxy-6-bromo-5-(2,4-dinitroanilino)-2-oxanyl]methyl ester IUPAC Name: [(2S,3R,4S,5S,6S)-3,4-diacetyloxy-6-bromo-5-(2,4-dinitroanilino)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3R,4S,5S,6S)-3,4-diacetoxy-6-bromo-5-(2,4-dinitroanilino)tetrahydropyran-2-yl]methyl ester Formula: C18H20BrN3O11 MolecularWeight: 534.2689

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)Br)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)Br)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H20BrN3O11/c1-8(23)30-7-14-16(31-9(2)24)17(32-10(3)25)15(18(19)33-14)20-12-5-4-11(21(26)27)6-13(12)22(28)29/h4-6,14-18,20H,7H2,1-3H3/t14-,15-,16-,17-,18+/m0/s1