2-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]ethylphosphonic acid hydrobromide

Systemtic Name: 2-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]ethylphosphonic acid hydrobromide Openeye Name: 2-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylene]-4-oxo-1-piperidyl]ethylphosphonic acid hydrobromide CAS Name: 2-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxo-1-piperidinyl]ethylphosphonic acid hydrobromide IUPAC Name: 2-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxopiperidin-1-yl]ethylphosphonic acid hydrobromide Traditional Name: 2-[(3E,5E)-4-keto-3,5-bis(4-nitrobenzylidene)piperidino]ethylphosphonic acid hydrobromide Formula: C21H21BrN3O8P MolecularWeight: 554.284501

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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-])CN1CCP(=O)(O)O.Br

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-])CCP(=O)(O)O.Br

InChI

InChI=1S/C21H20N3O8P.BrH/c25-21-17(11-15-1-5-19(6-2-15)23(26)27)13-22(9-10-33(30,31)32)14-18(21)12-16-3-7-20(8-4-16)24(28)29;/h1-8,11-12H,9-10,13-14H2,(H2,30,31,32);1H/b17-11+,18-12+;