[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate CAS Name: 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate Traditional Name: 7-fluoro-2-keto-3,4-dihydro-1H-quinoline-4-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=C(C=C2)F)NC1=O)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1C(C2=C(C=C(C=C2)F)NC1=O)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H18FN3O4/c22-14-7-8-16-17(12-19(26)24-18(16)11-14)21(28)29-13-20(27)25(10-4-9-23)15-5-2-1-3-6-15/h1-3,5-8,11,17H,4,10,12-13H2,(H,24,26)