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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)C

InChI

InChI=1S/C21H17NO5/c1-13-3-5-16(7-14(13)2)18(23)11-25-21(24)17(10-22)8-15-4-6-19-20(9-15)27-12-26-19/h3-9H,11-12H2,1-2H3