(E)-3-(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-prop-2-enoic acid CAS Name: (E)-3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-2-propenoic acid IUPAC Name: (E)-3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-acrylic acid Formula: C12H8BrNO4 MolecularWeight: 310.10022

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Br)C=C(C#N)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Br)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C12H8BrNO4/c13-9-4-7(3-8(6-14)12(15)16)5-10-11(9)18-2-1-17-10/h3-5H,1-2H2,(H,15,16)/b8-3+