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

Systemtic Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(phosphonatomethyl)piperidin-4-one Openeye Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylene]-1-(phosphonatomethyl)piperidin-4-one CAS Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(phosphonatomethyl)-4-piperidinone IUPAC Name: disodium (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(phosphonatomethyl)piperidin-4-one Traditional Name: disodium (3E,5E)-3,5-bis(4-nitrobenzylidene)-1-(phosphonatomethyl)-4-piperidone Formula: C20H16N3Na2O8P MolecularWeight: 503.309641

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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-])CN1CP(=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-])CP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C20H18N3O8P.2Na/c24-20-16(9-14-1-5-18(6-2-14)22(25)26)11-21(13-32(29,30)31)12-17(20)10-15-3-7-19(8-4-15)23(27)28;;/h1-10H,11-13H2,(H2,29,30,31);;/q;2*+1/p-2/b16-9+,17-10+;;