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

Systemtic Name: 7-[4-(acetyloxymethoxycarbonyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(acetoxymethoxycarbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[acetyloxymethoxy(oxo)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(acetyloxymethoxycarbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(acetoxymethoxycarbonyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H22FN3O7 MolecularWeight: 435.402983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O7/c1-3-22-10-14(19(27)28)18(26)13-8-15(21)17(9-16(13)22)23-4-6-24(7-5-23)20(29)31-11-30-12(2)25/h8-10H,3-7,11H2,1-2H3,(H,27,28)