| SpectraBase Spectrum ID |
45FgamuEgXT |
| Name |
Ethyl 4-{[(5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6A-tetrahydropyrrolo[3,4-D][1,2,3]triazol-1(3ah)-yl)acetyl]amino}benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.129196858 u |
| Formula |
C21H18FN5O5 |
| InChI |
InChI=1S/C21H18FN5O5/c1-2-32-21(31)12-6-8-14(9-7-12)23-16(28)11-26-18-17(24-25-26)19(29)27(20(18)30)15-5-3-4-13(22)10-15/h3-10,17-18H,2,11H2,1H3,(H,23,28) |
| InChIKey |
NGRMHTNKLNULNF-UHFFFAOYSA-N |
| Molecular Weight |
439.403 g/mol |
| SMILES |
N(C(CN1C2C(N(C(C2N=N1)=O)C=1C=C(F)C=CC1)=O)=O)C=1C=CC(C(=O)OCC)=CC1 |
![ethyl 4-{[(5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetyl]amino}benzoate](/api/spectrum/45FgamuEgXT/structure.png?h=300&w=458 "ethyl 4-{[(5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetyl]amino}benzoate")
