methyl (Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC2=C(C=C1)OCO2)C#N

Isomeric SMILES

COC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/C#N

InChI

InChI=1S/C12H9NO4/c1-15-12(14)9(6-13)4-8-2-3-10-11(5-8)17-7-16-10/h2-5H,7H2,1H3/b9-4-