| SpectraBase Spectrum ID |
80Q2KkAqry3 |
| Name |
4-(5-(4-Nitrophenyl)-4-(ethoxycarbonyl)-3-oxo-2,3-dihydropyrazol-1-yl)benzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H15N3O7 |
| InChI |
InChI=1S/C19H15N3O7/c1-2-29-19(26)15-16(11-3-9-14(10-4-11)22(27)28)21(20-17(15)23)13-7-5-12(6-8-13)18(24)25/h3-10H,2H2,1H3,(H,20,23)(H,24,25) |
| InChIKey |
NVRPCQGHFWBFAC-UHFFFAOYSA-N |
| Molecular Weight |
397.343 g/mol |
| SMILES |
N1N(c2ccc(C(=O)O)cc2)C(=C(C(=O)OCC)C1=O)c1ccc(N(=O)=O)cc1 |
| SPLASH |
splash10-0002-0009000000-e945dcf4671848680c44 |
| Source of Spectrum |
F2-44-4631-4f |
| Synonyms |
4-[4-ethoxycarbonyl-3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid
4-[4-ethoxycarbonyl-3-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid |
| Wiley ID |
1705846 |
