(E)-1-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanyl-hex-4-en-1-one

Systemtic Name: (E)-1-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanyl-hex-4-en-1-one Openeye Name: (E)-3-hydroxy-1-(6-nitro-1,3-benzodioxol-5-yl)hex-4-en-1-one CAS Name: (E)-3-hydroxy-1-(6-nitro-1,3-benzodioxol-5-yl)-4-hexen-1-one IUPAC Name: (E)-3-hydroxy-1-(6-nitro-1,3-benzodioxol-5-yl)hex-4-en-1-one Traditional Name: (E)-3-hydroxy-1-(6-nitro-1,3-benzodioxol-5-yl)hex-4-en-1-one Formula: C13H13NO6 MolecularWeight: 279.24542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O

Isomeric SMILES

C/C=C/C(CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O

InChI

InChI=1S/C13H13NO6/c1-2-3-8(15)4-11(16)9-5-12-13(20-7-19-12)6-10(9)14(17)18/h2-3,5-6,8,15H,4,7H2,1H3/b3-2+