ethyl 7-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 7-(1-cyano-2-methoxy-2-oxo-ethyl)-6,8-difluoro-4-oxo-1-phenyl-quinoline-3-carboxylate CAS Name: 7-(1-cyano-2-methoxy-2-oxoethyl)-6,8-difluoro-4-oxo-1-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(1-cyano-2-methoxy-2-oxoethyl)-6,8-difluoro-4-oxo-1-phenylquinoline-3-carboxylate Traditional Name: 7-(1-cyano-2-keto-2-methoxy-ethyl)-6,8-difluoro-4-keto-1-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H16F2N2O5 MolecularWeight: 426.369646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C(C#N)C(=O)OC)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C(C#N)C(=O)OC)F)C3=CC=CC=C3

InChI

InChI=1S/C22H16F2N2O5/c1-3-31-22(29)15-11-26(12-7-5-4-6-8-12)19-13(20(15)27)9-16(23)17(18(19)24)14(10-25)21(28)30-2/h4-9,11,14H,3H2,1-2H3