(6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C19H14BrNO4 MolecularWeight: 400.22276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C19H14BrNO4/c1-12-2-4-13(5-3-12)6-14(9-21)19(22)23-10-15-7-17-18(8-16(15)20)25-11-24-17/h2-8H,10-11H2,1H3/b14-6+