prop-2-enyl (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: prop-2-enyl (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: allyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-acrylic acid allyl ester Formula: C14H10BrNO4 MolecularWeight: 336.1375

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(=CC1=CC2=C(C=C1Br)OCO2)C#N

Isomeric SMILES

C=CCOC(=O)/C(=C/C1=CC2=C(C=C1Br)OCO2)/C#N

InChI

InChI=1S/C14H10BrNO4/c1-2-3-18-14(17)10(7-16)4-9-5-12-13(6-11(9)15)20-8-19-12/h2,4-6H,1,3,8H2/b10-4+