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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(2-keto-5-methyl-1,3-dioxol-4-yl)methyl]piperazino]quinoline-3-carboxylic acid Formula: C21H22FN3O6 MolecularWeight: 431.414283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=C(OC(=O)O4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=C(OC(=O)O4)C)F)C(=O)O

InChI

InChI=1S/C21H22FN3O6/c1-3-24-10-14(20(27)28)19(26)13-8-15(22)17(9-16(13)24)25-6-4-23(5-7-25)11-18-12(2)30-21(29)31-18/h8-10H,3-7,11H2,1-2H3,(H,27,28)