[2-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(2-bromo-4,6-difluoro-anilino)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(2-bromo-4,6-difluoro-anilino)-2-keto-ethyl] ester Formula: C21H17BrF2N2O3 MolecularWeight: 463.272086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C=C(C=C3Br)F)F

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C=C(C=C3Br)F)F

InChI

InChI=1S/C21H17BrF2N2O3/c1-3-16-11(2)19(13-6-4-5-7-17(13)25-16)21(28)29-10-18(27)26-20-14(22)8-12(23)9-15(20)24/h4-9H,3,10H2,1-2H3,(H,26,27)