SpectraBase Spectrum ID |
6dEDmtvJG66 |
Name |
1H-Pyrrole-3-propanoic acid, 5-[[5-[[2-(ethoxycarbonyl)phenyl]azo]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-methyl-2-oxo-, methyl ester |
CAS Registry Number |
62290-66-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C26H30N4O5 |
InChI |
InChI=1S/C26H30N4O5/c1-6-17-16(4)24(30-29-20-11-9-8-10-19(20)26(33)35-7-2)27-22(17)14-21-15(3)18(25(32)28-21)12-13-23(31)34-5/h8-11,14,27H,6-7,12-13H2,1-5H3,(H,28,32)/b21-14-,30-29+ |
InChIKey |
LOQIAJYUONPIEN-DWGJLEHWSA-N |
Molecular Weight |
478.549 g/mol |
SMILES |
[nH]1c(\C=C/2C(=C(C(N2)=O)CCC(=O)OC)C)c(c(C)c1\N=N\c1c(C(=O)OCC)cccc1)CC |
SPLASH |
splash10-004i-0201900000-4cc9ee31d5a624d526ce |
Source of Spectrum |
KO-3-158-2 |
Synonyms |
2-(o-ethoxycarbonylphenylazo)-3-ethyl-4-methyl-5-((2,5-dihydro-4-(2-methoxycarbonylethyl)-5-oxo-2-pyrrolylidene)methyl)pyrrole
Ethyl 2-[(E)-(4-ethyl-5-{(Z)-[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-3-methyl-1H-pyrrol-2-yl)diazenyl]benzoate |
Wiley ID |
1394743 |