[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H18N2O5/c1-23(2)17-6-3-14(4-7-17)9-16(11-22)21(25)26-12-18(24)15-5-8-19-20(10-15)28-13-27-19/h3-10H,12-13H2,1-2H3/b16-9+