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

Systemtic Name: ethyl 4-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C24H18N2O6 MolecularWeight: 430.40952

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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)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H18N2O6/c1-2-29-24(28)16-5-3-15(4-6-16)20-10-8-19(32-20)11-17(13-25)23(27)26-18-7-9-21-22(12-18)31-14-30-21/h3-12H,2,14H2,1H3,(H,26,27)/b17-11+