| SpectraBase Spectrum ID |
LCjf7lrDe6P |
| Name |
Benzoic acid, 4-[[(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]-1-oxo-2-propenyl]amino]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.026999269 u |
| Formula |
C24H17BrN2O6 |
| InChI |
InChI=1S/C24H17BrN2O6/c25-17-3-1-2-16(12-17)22(28)27-19(10-14-4-9-20-21(11-14)33-13-32-20)23(29)26-18-7-5-15(6-8-18)24(30)31/h1-12H,13H2,(H,26,29)(H,27,28)(H,30,31)/b19-10- |
| InChIKey |
QXSCOGWIENIIBN-GRSHGNNSSA-N |
| Molecular Weight |
509.312 g/mol |
| SMILES |
N(C(\C(NC(C=1C=C(Br)C=CC1)=O)=C/C1=CC=2OCOC2C=C1)=O)C1=CC=C(C(=O)O)C=C1 |
![benzoic acid, 4-[[(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]-1-oxo-2-propenyl]amino]-](/api/spectrum/LCjf7lrDe6P/structure.png?h=300&w=458 "benzoic acid, 4-[[(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]-1-oxo-2-propenyl]amino]-")
