7-[2,5-dimethyl-3,6-bis(oxidanylidene)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2,5-dimethyl-3,6-bis(oxidanylidene)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2,5-dimethyl-3,6-dioxo-piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2,5-dimethyl-3,6-dioxo-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2,5-dimethyl-3,6-dioxopiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2,5-diketo-3,6-dimethyl-piperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H18FN3O5 MolecularWeight: 375.351023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C(C(=O)NC(C3=O)C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C(C(=O)NC(C3=O)C)C)F)C(=O)O

InChI

InChI=1S/C18H18FN3O5/c1-4-21-7-11(18(26)27)15(23)10-5-12(19)14(6-13(10)21)22-9(3)16(24)20-8(2)17(22)25/h5-9H,4H2,1-3H3,(H,20,24)(H,26,27)