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

Systemtic Name: 1-cyanoethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 1-cyanoethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid 1-cyanoethyl ester Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4/c1-9(7-14)18-13(15)5-3-10-2-4-11-12(6-10)17-8-16-11/h2-6,9H,8H2,1H3/b5-3+