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

Systemtic Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C26H28ClN3O6 MolecularWeight: 513.97002

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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(=CN2C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(CC3)(C4=CC=C(C=C4)Cl)O)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

InChI

InChI=1S/C26H28ClN3O6/c1-15-21-18(23(31)19(24(32)33)14-29(21)25(2,3)4)13-20(30(35)36)22(15)28-11-9-26(34,10-12-28)16-5-7-17(27)8-6-16/h5-8,13-14,34H,9-12H2,1-4H3,(H,32,33)