[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoline-4-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoline-4-carboxylate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 2,3-dimethylquinoline-4-carboxylate CAS Name: 2,3-dimethyl-4-quinolinecarboxylic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2,3-dimethylquinoline-4-carboxylate Traditional Name: 2,3-dimethylcinchoninic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H16ClFN2O3 MolecularWeight: 386.804043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C20H16ClFN2O3/c1-11-12(2)23-16-6-4-3-5-14(16)19(11)20(26)27-10-18(25)24-17-8-7-13(21)9-15(17)22/h3-9H,10H2,1-2H3,(H,24,25)