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Ethyl-1-(4-(2-(2-(nitrooxy)acetyl)hydrazinecarbonyl)phenyl)-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazol-4-carboxylate
SpectraBase Compound ID AjmZlHmv5QV
InChI InChI=1S/C21H19N5O8/c1-2-33-21(30)17-18(13-6-4-3-5-7-13)25(24-20(17)29)15-10-8-14(9-11-15)19(28)23-22-16(27)12-34-26(31)32/h3-11H,2,12H2,1H3,(H,22,27)(H,23,28)(H,24,29)
InChIKey YWSOFWULMWNTPD-UHFFFAOYSA-N
Mol Weight 469.41 g/mol
Molecular Formula C21H19N5O8
Exact Mass 469.123363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWKIr1A3zTb
Name Ethyl-1-(4-(2-(2-(nitrooxy)acetyl)hydrazinecarbonyl)phenyl)-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazol-4-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N5O8
InChI InChI=1S/C21H19N5O8/c1-2-33-21(30)17-18(13-6-4-3-5-7-13)25(24-20(17)29)15-10-8-14(9-11-15)19(28)23-22-16(27)12-34-26(31)32/h3-11H,2,12H2,1H3,(H,22,27)(H,23,28)(H,24,29)
InChIKey YWSOFWULMWNTPD-UHFFFAOYSA-N
Molecular Weight 469.410 g/mol
SMILES N1N(c2ccc(C(NNC(CON(=O)=O)=O)=O)cc2)C(=C(C(=O)OCC)C1=O)c1ccccc1
SPLASH splash10-00di-0000900000-1cccc197b2fe41006451
Source of Spectrum F2-44-4634-7j
Synonyms 2-[4-[[(2-nitrooxy-1-oxoethyl)hydrazo]-oxomethyl]phenyl]-5-oxo-3-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester ethyl 2-[4-[[(2-nitrooxyacetyl)amino]carbamoyl]phenyl]-5-oxo-3-phenyl-1H-pyrazole-4-carboxylate ethyl 2-[4-[(2-nitrooxyethanoylamino)carbamoyl]phenyl]-5-oxidanylidene-3-phenyl-1H-pyrazole-4-carboxylate
Wiley ID 1705816