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

Systemtic Name: 7-[2,5-bis(oxidanylidene)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylic acid Openeye Name: 1-benzyl-7-(2,5-dioxopiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2,5-dioxo-1-piperazinyl)-6-fluoro-4-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-benzyl-7-(2,5-dioxopiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-benzyl-7-(2,5-diketopiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H16FN3O5 MolecularWeight: 409.367243

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(CC(=O)N1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=CC=C4)F

Isomeric SMILES

C1C(=O)N(CC(=O)N1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=CC=C4)F

InChI

InChI=1S/C21H16FN3O5/c22-15-6-13-16(7-17(15)25-11-18(26)23-8-19(25)27)24(9-12-4-2-1-3-5-12)10-14(20(13)28)21(29)30/h1-7,10H,8-9,11H2,(H,23,26)(H,29,30)