cyanomethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: cyanomethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid cyanomethyl ester Formula: C12H9NO4 MolecularWeight: 231.20416

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC#N

InChI

InChI=1S/C12H9NO4/c13-5-6-15-12(14)4-2-9-1-3-10-11(7-9)17-8-16-10/h1-4,7H,6,8H2/b4-2+