[4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C24H18N2O7 MolecularWeight: 446.40892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCO3)OC(=O)C4=CC=CO4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCO3)OC(=O)C4=CC=CO4

InChI

InChI=1S/C24H18N2O7/c1-2-29-21-11-15(5-7-19(21)33-24(28)20-4-3-9-30-20)10-16(13-25)23(27)26-17-6-8-18-22(12-17)32-14-31-18/h3-12H,2,14H2,1H3,(H,26,27)/b16-10+