methyl 8-chloranyl-7-(4-ethoxycarbonyl-3-methyl-piperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: methyl 8-chloranyl-7-(4-ethoxycarbonyl-3-methyl-piperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: methyl 8-chloro-7-(4-ethoxycarbonyl-3-methyl-piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 8-chloro-7-(4-ethoxycarbonyl-3-methyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 8-chloro-7-(4-ethoxycarbonyl-3-methylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-carbethoxy-3-methyl-piperazino)-8-chloro-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid methyl ester Formula: C21H25ClFN3O5 MolecularWeight: 453.891703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCN(C(C3)C)C(=O)OCC)F)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)Cl)N3CCN(C(C3)C)C(=O)OCC)F)C(=O)OC

InChI

InChI=1S/C21H25ClFN3O5/c1-5-24-11-14(20(28)30-4)19(27)13-9-15(23)18(16(22)17(13)24)25-7-8-26(12(3)10-25)21(29)31-6-2/h9,11-12H,5-8,10H2,1-4H3