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

Systemtic Name: [(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]methyl-ethoxy-phosphinic acid Openeye Name: [(3E,5E)-3,5-bis[(4-nitrophenyl)methylene]-4-oxo-1-piperidyl]methyl-ethoxy-phosphinic acid CAS Name: [(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxo-1-piperidinyl]methyl-ethoxyphosphinic acid IUPAC Name: [(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxopiperidin-1-yl]methyl-ethoxyphosphinic acid Traditional Name: ethoxy-[[(3E,5E)-4-keto-3,5-bis(4-nitrobenzylidene)piperidino]methyl]phosphinic acid Formula: C22H22N3O8P MolecularWeight: 487.399141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C1)O

Isomeric SMILES

CCOP(=O)(O)CN1C/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C1

InChI

InChI=1S/C22H22N3O8P/c1-2-33-34(31,32)15-23-13-18(11-16-3-7-20(8-4-16)24(27)28)22(26)19(14-23)12-17-5-9-21(10-6-17)25(29)30/h3-12H,2,13-15H2,1H3,(H,31,32)/b18-11+,19-12+