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

Systemtic Name: 7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-cyclopropyl-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-cyclopropyl-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-cyclopropyl-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C25H24ClN3O6 MolecularWeight: 497.92756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC(CC3)(C4=CC=C(C=C4)Cl)O)[N+](=O)[O-])C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(CC3)(C4=CC=C(C=C4)Cl)O)[N+](=O)[O-])C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C25H24ClN3O6/c1-14-21-18(23(30)19(24(31)32)13-28(21)17-6-7-17)12-20(29(34)35)22(14)27-10-8-25(33,9-11-27)15-2-4-16(26)5-3-15/h2-5,12-13,17,33H,6-11H2,1H3,(H,31,32)