propan-2-yl (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-acrylic acid isopropyl ester Formula: C14H12BrNO4 MolecularWeight: 338.15338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC2=C(C(=C1)Br)OCO2)C#N

Isomeric SMILES

CC(C)OC(=O)/C(=C/C1=CC2=C(C(=C1)Br)OCO2)/C#N

InChI

InChI=1S/C14H12BrNO4/c1-8(2)20-14(17)10(6-16)3-9-4-11(15)13-12(5-9)18-7-19-13/h3-5,8H,7H2,1-2H3/b10-3+