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Ethyl-1-(4-(2-(2-chloroacetyl)hydrazinecarbonyl)phenyl)-5-(4-nitrophenyl)3-oxo-2,3-dihydro-1H-pyrazol-4-carboxylate
SpectraBase Compound ID GPnsfqjLhfB
InChI InChI=1S/C21H18ClN5O7/c1-2-34-21(31)17-18(12-3-9-15(10-4-12)27(32)33)26(25-20(17)30)14-7-5-13(6-8-14)19(29)24-23-16(28)11-22/h3-10H,2,11H2,1H3,(H,23,28)(H,24,29)(H,25,30)
InChIKey MEARSHUCHHBTBL-UHFFFAOYSA-N
Mol Weight 487.86 g/mol
Molecular Formula C21H18ClN5O7
Exact Mass 487.089476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89hC3DlU5g9
Name Ethyl-1-(4-(2-(2-chloroacetyl)hydrazinecarbonyl)phenyl)-5-(4-nitrophenyl)3-oxo-2,3-dihydro-1H-pyrazol-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H18ClN5O7
InChI InChI=1S/C21H18ClN5O7/c1-2-34-21(31)17-18(12-3-9-15(10-4-12)27(32)33)26(25-20(17)30)14-7-5-13(6-8-14)19(29)24-23-16(28)11-22/h3-10H,2,11H2,1H3,(H,23,28)(H,24,29)(H,25,30)
InChIKey MEARSHUCHHBTBL-UHFFFAOYSA-N
Molecular Weight 487.856 g/mol
SMILES N1N(c2ccc(C(NNC(=O)CCl)=O)cc2)C(=C(C(=O)OCC)C1=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-03di-0000900000-b839e2bc77fc5f543c9d
Source of Spectrum F2-44-4632-6f
Synonyms 2-[4-[[(2-chloro-1-oxoethyl)hydrazo]-oxomethyl]phenyl]-3-(4-nitrophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid ethyl ester ethyl 2-[4-[[(2-chloroacetyl)amino]carbamoyl]phenyl]-3-(4-nitrophenyl)-5-oxo-1H-pyrazole-4-carboxylate ethyl 2-[4-[(2-chloranylethanoylamino)carbamoyl]phenyl]-3-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazole-4-carboxylate
Wiley ID 1705826