1-tert-butyl-7-[4-(5-chloranyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-[4-(5-chloranyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[4-(5-chloro-2-keto-3H-benzimidazol-1-yl)piperidino]-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C27H28ClN5O6 MolecularWeight: 553.99412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC(CC3)N4C5=C(C=C(C=C5)Cl)NC4=O)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(CC3)N4C5=C(C=C(C=C5)Cl)NC4=O)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

InChI

InChI=1S/C27H28ClN5O6/c1-14-22-17(24(34)18(25(35)36)13-31(22)27(2,3)4)12-21(33(38)39)23(14)30-9-7-16(8-10-30)32-20-6-5-15(28)11-19(20)29-26(32)37/h5-6,11-13,16H,7-10H2,1-4H3,(H,29,37)(H,35,36)