N-[(1,5-Dimethyl-3(2H)-oxo-2-phenyl-4-pyrazolyl)aminomethyl]-3-nitrophthalimide

SpectraBase Compound ID	CBOKM4az8Ew
InChI	InChI=1S/C20H17N5O5/c1-12-17(20(28)24(22(12)2)13-7-4-3-5-8-13)21-11-23-18(26)14-9-6-10-15(25(29)30)16(14)19(23)27/h3-10,21H,11H2,1-2H3
InChIKey	VRUFFGGHUUCRAG-UHFFFAOYSA-N Google Search
Mol Weight	407.39 g/mol
Molecular Formula	C20H17N5O5
Exact Mass	407.122969 g/mol

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SpectraBase Spectrum ID	8p0jbxXyhcJ
Name	N-[(1,5-Dimethyl-3(2H)-oxo-2-phenyl-4-pyrazolyl)aminomethyl]-3-nitrophthalimide
Comments	Structure changed after expert review
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H17N5O5
InChI	InChI=1S/C20H17N5O5/c1-12-17(20(28)24(22(12)2)13-7-4-3-5-8-13)21-11-23-18(26)14-9-6-10-15(25(29)30)16(14)19(23)27/h3-10,21H,11H2,1-2H3
InChIKey	VRUFFGGHUUCRAG-UHFFFAOYSA-N
Molecular Weight	407.386 g/mol
SMILES	N(C=1C(N(c2ccccc2)N(C1C)C)=O)CN1C(=O)c2c([N+]([O-])=O)cccc2C1=O
SPLASH	splash10-0a6r-9200000000-f6934e214341d3af32db
Synonyms	2-([(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Wiley ID	1468336