[(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]methylphosphonic acid

Systemtic Name: [(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]methylphosphonic acid Openeye Name: [(3E,5E)-3,5-bis[(4-nitrophenyl)methylene]-4-oxo-1-piperidyl]methylphosphonic acid CAS Name: [(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxo-1-piperidinyl]methylphosphonic acid IUPAC Name: [(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxopiperidin-1-yl]methylphosphonic acid Traditional Name: [(3E,5E)-4-keto-3,5-bis(4-nitrobenzylidene)piperidino]methylphosphonic acid Formula: C20H18N3O8P MolecularWeight: 459.345981

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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

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

InChI

InChI=1S/C20H18N3O8P/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)/b16-9+,17-10+