| SpectraBase Spectrum ID |
85AUnQcRUPo |
| Name |
(E)-2-(Acetylamino)-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]propenoic acid |
| Alternate Name(s) |
(E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)-5-pyrimidinyl]-2-propenoic acid
(E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16N4O5 |
| InChI |
InChI=1S/C17H16N4O5/c1-9-14(8-15(17(23)24)20-11(3)22)10(2)19-16(18-9)12-5-4-6-13(7-12)21(25)26/h4-8H,1-3H3,(H,20,22)(H,23,24)/b15-8+ |
| InChIKey |
NGSNCARVQKTQJE-OVCLIPMQSA-N |
| Molecular Weight |
356.338 g/mol |
| SMILES |
OC(\C(=C/c1c(nc(-c2cc(N(=O)=O)ccc2)nc1C)C)NC(=O)C)=O |
| SPLASH |
splash10-03di-0009000000-2bc743a019e23caacdcf |
| Source of Spectrum |
F-65-8219-3g |
| Wiley ID |
1679733 |
![(E)-2-(Acetylamino)-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]propenoic acid](/api/spectrum/85AUnQcRUPo/structure.png?h=300&w=458 "(E)-2-(Acetylamino)-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]propenoic acid")
