ethyl (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC)COC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC)COC2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C21H19NO6/c1-3-25-21(23)15(11-22)8-14-4-6-18(24-2)16(9-14)12-26-17-5-7-19-20(10-17)28-13-27-19/h4-10H,3,12-13H2,1-2H3/b15-8+