ethyl 7-[cyano(phenyl)methyl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-[cyano(phenyl)methyl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[cyano(phenyl)methyl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[cyano(phenyl)methyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[cyano(phenyl)methyl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[cyano(phenyl)methyl]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C22H18F2N2O3 MolecularWeight: 396.386726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C(C#N)C3=CC=CC=C3)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C(C#N)C3=CC=CC=C3)F)C(=O)OCC

InChI

InChI=1S/C22H18F2N2O3/c1-3-26-12-16(22(28)29-4-2)21(27)14-10-17(23)18(19(24)20(14)26)15(11-25)13-8-6-5-7-9-13/h5-10,12,15H,3-4H2,1-2H3