1-tert-butyl-7-[4-(5-chloranyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]-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]-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]-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]-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]-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-6-nitro-quinoline-3-carboxylic acid Formula: C26H26ClN5O6 MolecularWeight: 539.96754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)N4C5=C(C=C(C=C5)Cl)NC4=O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)N4C5=C(C=C(C=C5)Cl)NC4=O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H26ClN5O6/c1-26(2,3)30-13-17(24(34)35)23(33)16-11-22(32(37)38)21(12-20(16)30)29-8-6-15(7-9-29)31-19-5-4-14(27)10-18(19)28-25(31)36/h4-5,10-13,15H,6-9H2,1-3H3,(H,28,36)(H,34,35)