7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-5-nitro-quinoline-3-carboxylic acid Formula: C25H23ClFN3O7 MolecularWeight: 531.917423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCC(CC4)(C5=CC=C(C=C5)Cl)O

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCC(CC4)(C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C25H23ClFN3O7/c1-37-23-20-17(22(31)16(24(32)33)12-29(20)15-6-7-15)19(30(35)36)18(27)21(23)28-10-8-25(34,9-11-28)13-2-4-14(26)5-3-13/h2-5,12,15,34H,6-11H2,1H3,(H,32,33)