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

Systemtic Name: 7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-cyclopropyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-cyclopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C24H22ClN3O6 MolecularWeight: 483.90098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)(C5=CC=C(C=C5)Cl)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)(C5=CC=C(C=C5)Cl)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H22ClN3O6/c25-15-3-1-14(2-4-15)24(32)7-9-26(10-8-24)20-12-19-17(11-21(20)28(33)34)22(29)18(23(30)31)13-27(19)16-5-6-16/h1-4,11-13,16,32H,5-10H2,(H,30,31)