1-(4-carboxyphenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(4-carboxyphenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(4-carboxyphenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H18FN3O5 MolecularWeight: 411.383123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)C(=O)O)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)C(=O)O)F

InChI

InChI=1S/C21H18FN3O5/c22-16-9-14-17(10-18(16)24-7-5-23-6-8-24)25(11-15(19(14)26)21(29)30)13-3-1-12(2-4-13)20(27)28/h1-4,9-11,23H,5-8H2,(H,27,28)(H,29,30)