| SpectraBase Spectrum ID |
FH238P4o1AS |
| Name |
2-(2-Chloro-5-nitro-anilino)-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.059755905 u |
| Formula |
C20H17ClN2O4S |
| InChI |
InChI=1S/C20H17ClN2O4S/c1-3-27-20(24)17-12(2)18(13-7-5-4-6-8-13)28-19(17)22-16-11-14(23(25)26)9-10-15(16)21/h4-11,22H,3H2,1-2H3 |
| InChIKey |
YLHDBNJWHCSLIG-UHFFFAOYSA-N |
| Molecular Weight |
416.879 g/mol |
| SMILES |
C1(=C(C(C)=C(S1)C=1C=CC=CC1)C(=O)OCC)NC1=CC(N(=O)=O)=CC=C1Cl |
