ethyl 4-[5-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(piperonylamino)prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H20N2O6/c1-2-30-25(29)18-6-4-17(5-7-18)21-10-8-20(33-21)12-19(13-26)24(28)27-14-16-3-9-22-23(11-16)32-15-31-22/h3-12H,2,14-15H2,1H3,(H,27,28)/b19-12+