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

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-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)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-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)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H17F2N3O4 MolecularWeight: 413.374186

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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=C3F

Isomeric SMILES

C1C(C2=C(C=C(C=C2)F)NC1=O)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C21H17F2N3O4/c22-13-6-7-14-15(11-19(27)25-17(14)10-13)21(29)30-12-20(28)26(9-3-8-24)18-5-2-1-4-16(18)23/h1-2,4-7,10,15H,3,9,11-12H2,(H,25,27)