[4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2,6-dimethoxy-phenyl] ethanoate

Systemtic Name: [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2,6-dimethoxy-phenyl] ethanoate Openeye Name: [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxo-prop-1-enyl]-2,6-dimethoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] ester IUPAC Name: [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-2-cyano-3-keto-3-(piperonylamino)prop-1-enyl]-2,6-dimethoxy-phenyl] ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C22H20N2O7/c1-13(25)31-21-19(27-2)8-15(9-20(21)28-3)6-16(10-23)22(26)24-11-14-4-5-17-18(7-14)30-12-29-17/h4-9H,11-12H2,1-3H3,(H,24,26)/b16-6+