SpectraBase Spectrum ID |
A3N7sNCnmtx |
Name |
3-({(2E)-3-[5-bromo-2-(1-naphthoyloxy)phenyl]-2-cyano-2-propenoyl}amino)benzoic acid |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
540.032084650 u |
Formula |
C28H17BrN2O5 |
InChI |
InChI=1S/C28H17BrN2O5/c29-21-11-12-25(36-28(35)24-10-4-6-17-5-1-2-9-23(17)24)19(14-21)13-20(16-30)26(32)31-22-8-3-7-18(15-22)27(33)34/h1-15H,(H,31,32)(H,33,34)/b20-13+ |
InChIKey |
DDTVWSFQSNLEBE-DEDYPNTBSA-N |
Molecular Weight |
541.357 g/mol |
SMILES |
N(C(\C(=C\C1=C(OC(C=2C=3C(=CC=CC3)C=CC2)=O)C=CC(=C1)Br)C#N)=O)C=1C=C(C(=O)O)C=CC1 |