SpectraBase Spectrum ID |
6u8uLt96kFo |
Name |
Methyl 4-methyl-3-[N-(4''-chloro-2""-nitrophenyl)pyrrol-2'-yl]-1H-pyrrole-2-carboxylate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
359.067283639 u |
Formula |
C17H14ClN3O4 |
InChI |
InChI=1S/C17H14ClN3O4/c1-10-9-19-16(17(22)25-2)15(10)13-4-3-7-20(13)12-6-5-11(18)8-14(12)21(23)24/h3-9,19H,1-2H3 |
InChIKey |
ZUJJICQQWLTZCW-UHFFFAOYSA-N |
Molecular Weight |
359.769 g/mol |
SMILES |
C=1(C2=C(NC=C2C)C(=O)OC)N(C=2C(N(=O)=O)=CC(=CC2)Cl)C=CC1 |