2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-piperonyloxy-propyl]-5-nitro-isoindoline-1,3-quinone Formula: C19H16N2O8 MolecularWeight: 400.33894

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC(CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC[C@H](CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H16N2O8/c22-13(9-27-8-11-1-4-16-17(5-11)29-10-28-16)7-20-18(23)14-3-2-12(21(25)26)6-15(14)19(20)24/h1-6,13,22H,7-10H2/t13-/m0/s1