| SpectraBase Spectrum ID |
BtSlhAJUUul |
| Name |
N-[4-Chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.082933703 u |
| Formula |
C22H16ClN3O4 |
| InChI |
InChI=1S/C22H16ClN3O4/c1-12-3-8-20-18(9-12)25-22(30-20)16-11-15(6-7-17(16)23)24-21(27)14-5-4-13(2)19(10-14)26(28)29/h3-11H,1-2H3,(H,24,27) |
| InChIKey |
IQYLSNKHTBEFEX-UHFFFAOYSA-N |
| Molecular Weight |
421.840 g/mol |
| SMILES |
C1=C2C(=CC(=C1)C)N=C(O2)C1=CC(=CC=C1Cl)NC(C1=CC(=C(C=C1)C)N(=O)=O)=O |
![N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide](/api/spectrum/BtSlhAJUUul/structure.png?h=300&w=458 "N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide")
