7-[(4-carboxyphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4-carboxyphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4-carboxyphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4-carboxyphenyl)methyl-(4-nitrophenyl)sulfonylamino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4-carboxyphenyl)methyl-(4-nitrophenyl)sulfonylamino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4-carboxybenzyl)-nosyl-amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H20FN3O9S MolecularWeight: 581.525803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=C(C=C4)C(=O)O)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=C(C=C4)C(=O)O)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C27H20FN3O9S/c28-22-11-20-23(29(17-5-6-17)14-21(25(20)32)27(35)36)12-24(22)30(13-15-1-3-16(4-2-15)26(33)34)41(39,40)19-9-7-18(8-10-19)31(37)38/h1-4,7-12,14,17H,5-6,13H2,(H,33,34)(H,35,36)