2,3-bis(oxidanyl)butanedioic acid; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; 2,3-dihydroxybutanedioic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; 2,3-dihydroxybutanedioic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; 2,3-dihydroxybutanedioic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid; tartaric acid Formula: C21H24FN3O9 MolecularWeight: 481.428363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C17H18FN3O3.C4H6O6/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;5-1(3(7)8)2(6)4(9)10/h7-10,19H,1-6H2,(H,23,24);1-2,5-6H,(H,7,8)(H,9,10)