7-[4-(1-chloroethyloxycarbonyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(1-chloroethyloxycarbonyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1-chloroethoxycarbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[1-chloroethoxy(oxo)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1-chloroethoxycarbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(1-chloroethoxycarbonyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H21ClFN3O5 MolecularWeight: 425.838543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OC(C)Cl)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OC(C)Cl)F)C(=O)O

InChI

InChI=1S/C19H21ClFN3O5/c1-3-22-10-13(18(26)27)17(25)12-8-14(21)16(9-15(12)22)23-4-6-24(7-5-23)19(28)29-11(2)20/h8-11H,3-7H2,1-2H3,(H,26,27)