SpectraBase Spectrum ID |
8IkL7jpR030 |
Name |
Benzoic acid, 2-[[4-ethyl-5-[(4-ethyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-yliden e)methyl]-3-methyl-1H-pyrrol-2-yl]azo]-, ethyl ester |
CAS Registry Number |
62290-67-9 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C24H28N4O3 |
InChI |
InChI=1S/C24H28N4O3/c1-6-16-15(5)22(25-21(16)13-20-14(4)17(7-2)23(29)26-20)28-27-19-12-10-9-11-18(19)24(30)31-8-3/h9-13,25H,6-8H2,1-5H3,(H,26,29)/b20-13-,28-27+ |
InChIKey |
PZUHQWHNYISVRH-KJSQFUGVSA-N |
Molecular Weight |
420.513 g/mol |
SMILES |
[nH]1c(\C=C/2NC(C(=C2C)CC)=O)c(c(C)c1\N=N\c1c(C(=O)OCC)cccc1)CC |
SPLASH |
splash10-00di-0102900000-0d3e5ab166203ea641e0 |
Source of Spectrum |
KO-3-158-2 |
Synonyms |
2-(o-ethoxycarbonylphenylazo)-3-methyl-4-ethyl-5-((2,5-dihydro-3-methyl-4-ethyl-5-oxo-2-pyrrolylidene)methyl)pyrrole
Ethyl 2-((E)-{4-ethyl-5-[(Z)-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl}diazenyl)benzoate |
Wiley ID |
1378001 |