[4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(piperonylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H22N2O7 MolecularWeight: 486.47278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C27H22N2O7/c1-32-21-7-5-19(6-8-21)27(31)36-23-10-3-17(12-24(23)33-2)11-20(14-28)26(30)29-15-18-4-9-22-25(13-18)35-16-34-22/h3-13H,15-16H2,1-2H3,(H,29,30)/b20-11+