disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(2-phosphonatoethyl)piperidin-4-one

Systemtic Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(2-phosphonatoethyl)piperidin-4-one Openeye Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylene]-1-(2-phosphonatoethyl)piperidin-4-one CAS Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(2-phosphonatoethyl)-4-piperidinone IUPAC Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(2-phosphonatoethyl)piperidin-4-one Traditional Name: disodium (3E,5E)-3,5-bis(4-nitrobenzylidene)-1-(2-phosphonatoethyl)-4-piperidone Formula: C21H18N3Na2O8P MolecularWeight: 517.336221

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])CN1CCP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C\1N(C/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)/C1=C/C3=CC=C(C=C3)[N+](=O)[O-])CCP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C21H20N3O8P.2Na/c25-21-17(11-15-1-5-19(6-2-15)23(26)27)13-22(9-10-33(30,31)32)14-18(21)12-16-3-7-20(8-4-16)24(28)29;;/h1-8,11-12H,9-10,13-14H2,(H2,30,31,32);;/q;2*+1/p-2/b17-11+,18-12+;;