N-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitroethenyl]-4,5-bis(oxidanyl)-2-phenoxy-oxan-3-yl]ethanamide

Systemtic Name: N-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitroethenyl]-4,5-bis(oxidanyl)-2-phenoxy-oxan-3-yl]ethanamide Openeye Name: N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitrovinyl]-2-phenoxy-tetrahydropyran-3-yl]acetamide CAS Name: N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitroethenyl]-2-phenoxy-3-oxanyl]acetamide IUPAC Name: N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitroethenyl]-2-phenoxyoxan-3-yl]acetamide Traditional Name: N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methylol-5-[(E)-2-nitrovinyl]-2-phenoxy-tetrahydropyran-3-yl]acetamide Formula: C17H22N2O9 MolecularWeight: 398.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(C(C(OC1OC2=CC=CC=C2)CO)(C=C[N+](=O)[O-])O)O)OC

Isomeric SMILES

CC(=O)N[C@@]1([C@H]([C@]([C@H](O[C@H]1OC2=CC=CC=C2)CO)(/C=C/[N+](=O)[O-])O)O)OC

InChI

InChI=1S/C17H22N2O9/c1-11(21)18-17(26-2)14(22)16(23,8-9-19(24)25)13(10-20)28-15(17)27-12-6-4-3-5-7-12/h3-9,13-15,20,22-23H,10H2,1-2H3,(H,18,21)/b9-8+/t13-,14+,15-,16-,17+/m1/s1