| SpectraBase Spectrum ID |
CNejl621E7T |
| Name |
Benzoic acid, 2-[[2-[(1,3-benzodioxol-5-ylmethyl)amino]-1,2-dioxoethyl]amino]-4,5-dimethoxy-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.121965604 u |
| Formula |
C20H20N2O8 |
| InChI |
InChI=1S/C20H20N2O8/c1-26-15-7-12(20(25)28-3)13(8-16(15)27-2)22-19(24)18(23)21-9-11-4-5-14-17(6-11)30-10-29-14/h4-8H,9-10H2,1-3H3,(H,21,23)(H,22,24) |
| InChIKey |
KIPROHPBDGDIPW-UHFFFAOYSA-N |
| Molecular Weight |
416.386 g/mol |
| SMILES |
N(C(C(NCC=1C=C2OCOC2=CC1)=O)=O)C1=C(C=C(C(OC)=C1)OC)C(=O)OC |
![Benzoic acid, 2-[[2-[(1,3-benzodioxol-5-ylmethyl)amino]-1,2-dioxoethyl]amino]-4,5-dimethoxy-, methyl ester](/api/spectrum/CNejl621E7T/structure.png?h=300&w=458 "Benzoic acid, 2-[[2-[(1,3-benzodioxol-5-ylmethyl)amino]-1,2-dioxoethyl]amino]-4,5-dimethoxy-, methyl ester")
