4-[3,5-bis[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]-N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-2,6-dinitro-benzamide

Systemtic Name: 4-[3,5-bis[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]-N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-2,6-dinitro-benzamide Openeye Name: 4-[3,5-bis[acetyl(methyl)amino]-2,4,6-triiodo-phenyl]-2,6-dinitro-N-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]benzamide CAS Name: 4-[3,5-bis[acetyl(methyl)amino]-2,4,6-triiodophenyl]-2,6-dinitro-N-[2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]benzamide IUPAC Name: 4-[3,5-bis[acetyl(methyl)amino]-2,4,6-triiodophenyl]-2,6-dinitro-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide Traditional Name: 4-[3,5-bis[acetyl(methyl)amino]-2,4,6-triiodo-phenyl]-2,6-dinitro-N-(2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl)benzamide Formula: C25H26I3N5O12 MolecularWeight: 969.21365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C(=C(C(=C1I)C2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)NC3C(C(C(OC3O)CO)O)O)[N+](=O)[O-])I)N(C)C(=O)C)I

Isomeric SMILES

CC(=O)N(C)C1=C(C(=C(C(=C1I)C2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)NC3C(C(C(OC3O)CO)O)O)[N+](=O)[O-])I)N(C)C(=O)C)I

InChI

InChI=1S/C25H26I3N5O12/c1-8(35)30(3)20-16(26)14(17(27)21(18(20)28)31(4)9(2)36)10-5-11(32(41)42)15(12(6-10)33(43)44)24(39)29-19-23(38)22(37)13(7-34)45-25(19)40/h5-6,13,19,22-23,25,34,37-38,40H,7H2,1-4H3,(H,29,39)