(E)-3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enoic acid CAS Name: (E)-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-2-propenoic acid IUPAC Name: (E)-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-acrylic acid Formula: C13H10BrNO4 MolecularWeight: 324.1268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=C(C#N)C(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C(\C#N)/C(=O)O)Br)OC1

InChI

InChI=1S/C13H10BrNO4/c14-10-5-8(4-9(7-15)13(16)17)6-11-12(10)19-3-1-2-18-11/h4-6H,1-3H2,(H,16,17)/b9-4+