[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H18ClFN2O3 MolecularWeight: 400.830623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)F)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)F)C

InChI

InChI=1S/C21H18ClFN2O3/c1-3-16-20(12(2)14-6-4-5-7-17(14)24-16)21(27)28-11-19(26)25-18-9-8-13(22)10-15(18)23/h4-10H,3,11H2,1-2H3,(H,25,26)