N3-[2,3-bis(oxidanyl)propyl]-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N3-[2,3-bis(oxidanyl)propyl]-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N3-(2,3-dihydroxypropyl)-5-nitro-benzene-1,3-dicarboxamide CAS Name: N3-(2,3-dihydroxypropyl)-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 3-N-(2,3-dihydroxypropyl)-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N'-glyceryl-5-nitro-isophthalamide Formula: C11H13N3O6 MolecularWeight: 283.23742

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)NCC(CO)O)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=C(C=C(C=C1C(=O)NCC(CO)O)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C11H13N3O6/c12-10(17)6-1-7(3-8(2-6)14(19)20)11(18)13-4-9(16)5-15/h1-3,9,15-16H,4-5H2,(H2,12,17)(H,13,18)