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

Systemtic Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C25H26ClN3O6 MolecularWeight: 499.94344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H26ClN3O6/c1-24(2,3)28-14-18(23(31)32)22(30)17-12-21(29(34)35)20(13-19(17)28)27-10-8-25(33,9-11-27)15-4-6-16(26)7-5-15/h4-7,12-14,33H,8-11H2,1-3H3,(H,31,32)