2-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(2R)-2-hydroxy-3-piperonyloxy-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H16N2O8 MolecularWeight: 400.33894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O8/c22-12(9-27-8-11-4-5-15-16(6-11)29-10-28-15)7-20-18(23)13-2-1-3-14(21(25)26)17(13)19(20)24/h1-6,12,22H,7-10H2/t12-/m1/s1