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

Systemtic Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(3-phosphonatopropyl)piperidin-4-one Openeye Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylene]-1-(3-phosphonatopropyl)piperidin-4-one CAS Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(3-phosphonatopropyl)-4-piperidinone IUPAC Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(3-phosphonatopropyl)piperidin-4-one Traditional Name: disodium (3E,5E)-3,5-bis(4-nitrobenzylidene)-1-(3-phosphonatopropyl)-4-piperidone Formula: C22H20N3Na2O8P MolecularWeight: 531.362801

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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-])CN1CCCP(=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-])CCCP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C22H22N3O8P.2Na/c26-22-18(12-16-2-6-20(7-3-16)24(27)28)14-23(10-1-11-34(31,32)33)15-19(22)13-17-4-8-21(9-5-17)25(29)30;;/h2-9,12-13H,1,10-11,14-15H2,(H2,31,32,33);;/q;2*+1/p-2/b18-12+,19-13+;;