[4-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-2-cyano-3-(4-fluoroanilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H15FN2O5 MolecularWeight: 406.363303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC=CO3

InChI

InChI=1S/C22H15FN2O5/c1-28-20-12-14(4-9-18(20)30-22(27)19-3-2-10-29-19)11-15(13-24)21(26)25-17-7-5-16(23)6-8-17/h2-12H,1H3,(H,25,26)/b15-11+