| SpectraBase Spectrum ID |
7LPr6whr6aR |
| Name |
Ethyl-1-(4-(2-(2-(nitrooxy)acetyl)hydrazinecarbonyl)phenyl)-5-(4-chlorophenyl)-3-oxo-2,3-dihydropyrazol-4-carboxylate |
| Alternate Name(s) |
3-(4-chlorophenyl)-2-[4-[[(2-nitrooxy-1-oxoethyl)hydrazo]-oxomethyl]phenyl]-5-oxo-1H-pyrazole-4-carboxylic acid ethyl ester
ethyl 3-(4-chlorophenyl)-2-[4-[[(2-nitrooxyacetyl)amino]carbamoyl]phenyl]-5-oxo-1H-pyrazole-4-carboxylate
ethyl 3-(4-chlorophenyl)-2-[4-[(2-nitrooxyethanoylamino)carbamoyl]phenyl]-5-oxidanylidene-1H-pyrazole-4-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18ClN5O8 |
| InChI |
InChI=1S/C21H18ClN5O8/c1-2-34-21(31)17-18(12-3-7-14(22)8-4-12)26(25-20(17)30)15-9-5-13(6-10-15)19(29)24-23-16(28)11-35-27(32)33/h3-10H,2,11H2,1H3,(H,23,28)(H,24,29)(H,25,30) |
| InChIKey |
WKABMRIWMNNBRL-UHFFFAOYSA-N |
| Molecular Weight |
503.855 g/mol |
| SMILES |
N1N(c2ccc(C(NNC(CON(=O)=O)=O)=O)cc2)C(=C(C(=O)OCC)C1=O)c1ccc(cc1)Cl |
| SPLASH |
splash10-0a4i-0000090000-e1abc034d218e4adbd72 |
| Source of Spectrum |
F2-44-4633-7i |
| Wiley ID |
1705817 |
