6-bromanyl-3-[1-(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonyl-5-(3-nitrophenyl)pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one

Systemtic Name: 6-bromanyl-3-[1-(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonyl-5-(3-nitrophenyl)pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one Openeye Name: 6-bromo-3-[1-[3,5-dinitro-4-(1-piperidyl)benzoyl]-5-(3-nitrophenyl)pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one CAS Name: 6-bromo-3-[1-[[3,5-dinitro-4-(1-piperidinyl)phenyl]-oxomethyl]-5-(3-nitrophenyl)-3-pyrazolidinylidene]-4-phenyl-2-quinolinone IUPAC Name: 6-bromo-3-[1-(3,5-dinitro-4-piperidin-1-ylbenzoyl)-5-(3-nitrophenyl)pyrazolidin-3-ylidene]-4-phenylquinolin-2-one Traditional Name: 6-bromo-3-[1-(3,5-dinitro-4-piperidino-benzoyl)-5-(3-nitrophenyl)pyrazolidin-3-ylidene]-4-phenyl-carbostyril Formula: C36H28BrN7O8 MolecularWeight: 766.55362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C(CC(=C4C(=C5C=C(C=CC5=NC4=O)Br)C6=CC=CC=C6)N3)C7=CC(=CC=C7)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C(CC(=C4C(=C5C=C(C=CC5=NC4=O)Br)C6=CC=CC=C6)N3)C7=CC(=CC=C7)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C36H28BrN7O8/c37-24-12-13-27-26(19-24)32(21-8-3-1-4-9-21)33(35(45)38-27)28-20-29(22-10-7-11-25(16-22)42(47)48)41(39-28)36(46)23-17-30(43(49)50)34(31(18-23)44(51)52)40-14-5-2-6-15-40/h1,3-4,7-13,16-19,29,39H,2,5-6,14-15,20H2