1-tert-butyl-6-nitro-4-oxidanylidene-7-(4-piperidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-nitro-4-oxidanylidene-7-(4-piperidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-nitro-4-oxo-7-[4-(1-piperidyl)-1-piperidyl]quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-nitro-4-oxo-7-[4-(1-piperidinyl)-1-piperidinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-nitro-4-oxo-7-(4-piperidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-4-keto-6-nitro-7-(4-piperidinopiperidino)quinoline-3-carboxylic acid Formula: C24H32N4O5 MolecularWeight: 456.53468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)N4CCCCC4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)N4CCCCC4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H32N4O5/c1-24(2,3)27-15-18(23(30)31)22(29)17-13-21(28(32)33)20(14-19(17)27)26-11-7-16(8-12-26)25-9-5-4-6-10-25/h13-16H,4-12H2,1-3H3,(H,30,31)