| SpectraBase Spectrum ID |
7ojXPzP2z0L |
| Name |
(E)-2-(Benzoylamino)-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]propenoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18N4O5 |
| InChI |
InChI=1S/C22H18N4O5/c1-13-18(12-19(22(28)29)25-21(27)15-7-4-3-5-8-15)14(2)24-20(23-13)16-9-6-10-17(11-16)26(30)31/h3-12H,1-2H3,(H,25,27)(H,28,29)/b19-12+ |
| InChIKey |
YKUSIXNGQNQCJL-XDHOZWIPSA-N |
| Molecular Weight |
418.409 g/mol |
| SMILES |
N(\C(C(=O)O)=C\c1c(nc(-c2cc(N(=O)=O)ccc2)nc1C)C)C(=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-0900000000-9207643a3dabd58c50c6 |
| Source of Spectrum |
F-65-8219-3d |
| Wiley ID |
1679736 |
![(E)-2-(Benzoylamino)-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]propenoic acid](/api/spectrum/7ojXPzP2z0L/structure.png?h=300&w=458 "(E)-2-(Benzoylamino)-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]propenoic acid")
