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

Systemtic Name: 4-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]butyl-ethoxy-phosphinic acid Openeye Name: 4-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylene]-4-oxo-1-piperidyl]butyl-ethoxy-phosphinic acid CAS Name: 4-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxo-1-piperidinyl]butyl-ethoxyphosphinic acid IUPAC Name: 4-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxopiperidin-1-yl]butyl-ethoxyphosphinic acid Traditional Name: ethoxy-[4-[(3E,5E)-4-keto-3,5-bis(4-nitrobenzylidene)piperidino]butyl]phosphinic acid Formula: C25H28N3O8P MolecularWeight: 529.478881

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCN1CC(=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)CCCCN1C/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/C25H28N3O8P/c1-2-36-37(34,35)14-4-3-13-26-17-21(15-19-5-9-23(10-6-19)27(30)31)25(29)22(18-26)16-20-7-11-24(12-8-20)28(32)33/h5-12,15-16H,2-4,13-14,17-18H2,1H3,(H,34,35)/b21-15+,22-16+