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(E)-{1-[3-(dimethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate

Catalog ID
STL047780
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+](C)C)/[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C25H27N3O6 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O6/c1-4-15-34-20-11-9-17(10-12-20)23(29)21-22(18-7-5-8-19(16-18)28(32)33)27(25(31)24(21)30)14-6-13-26(2)3/h4-5,7-12,16,22,29H,1,6,13-15H2,2-3H3/b23-21+
InChIKey
UNGIURMLMCENKS-XTQSDGFTSA-N
Synonyms
636989-43-0
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(4Z)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(3NITROPHENYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)3PYRROLIN2ONE
636989430
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCC(NH+)(C)C)(O)
CN(C)CCCN1C(C(=C(C2=CC=C(C=C2)OCC=C)O)C(=O)C1=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC25H27N3O6c1415342011917(101220)23(29)2122(1875819(1618)28(32)33)27(25(31)24(21)30)1461326(2)3h45712162229H161315H223H3b2321+
MFCD18249135
ZINC000009334179
ZINC000009353064

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Available files

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