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(E)-[4-(benzyloxy)-2-methylphenyl][2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STK559668
SMILES Cc1cc(OCc2ccccc2)ccc1/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)Cc1ccc[nH+]c1)/[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 C31H25N3O6 MW 535.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O6/c1-20-15-25(40-19-21-7-3-2-4-8-21)12-13-26(20)29(35)27-28(23-10-5-11-24(16-23)34(38)39)33(31(37)30(27)36)18-22-9-6-14-32-17-22/h2-17,28,35H,18-19H2,1H3/b29-27+
InChIKey
CRYIVJMFYWQZGP-ORIPQNMZSA-N
Synonyms

(4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2METHYL4PHENYLMETHOXYPHENYL)(2(3NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(3nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4(4(BENZYLOXY)2METHYLBENZOYL)3HYDROXY5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O))O
Cc1cc(OCc2ccccc2)ccc1C(=C1C(c2cccc(c2)(N+)(=O)(O))N(C(=O)C1=O)Cc1ccc(nH+)c1)(O)
InChI=1SC31H25N3O6c1201525(4019217324821)121326(20)29(35)2728(231051124(1623)34(38)39)33(31(37)30(27)36)18229614321722h2172835H1819H21H3b2927+
MFCD18243331
ZINC000102489210
ZINC000102489224

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Available files

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