(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-but-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-but-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C13H13NO6 MolecularWeight: 279.24542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

Isomeric SMILES

C/C=C/C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

InChI

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