SpectraBase Spectrum ID |
F2wbMYcOWBo |
Name |
1H-Pyrrole-3-propanoic acid, 2-[[2-(ethoxycarbonyl)phenyl]azo]-5-[(4-ethyl-1,5-dihydro-3-methyl-5- oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, methyl ester |
CAS Registry Number |
62290-62-4 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C26H30N4O5 |
InChI |
InChI=1S/C26H30N4O5/c1-6-17-15(3)22(28-25(17)32)14-21-16(4)18(12-13-23(31)34-5)24(27-21)30-29-20-11-9-8-10-19(20)26(33)35-7-2/h8-11,14,27H,6-7,12-13H2,1-5H3,(H,28,32)/b22-14-,30-29+ |
InChIKey |
PMDLAKBDLPRAJD-RWCRXPETSA-N |
Molecular Weight |
478.549 g/mol |
SMILES |
[nH]1c(\C=C/2NC(C(=C2C)CC)=O)c(c(CCC(=O)OC)c1\N=N\c1c(C(=O)OCC)cccc1)C |
SPLASH |
splash10-01t9-0304900000-331dc169dc51af3b65a0 |
Source of Spectrum |
KO-3-158-2 |
Synonyms |
2-(o-ethoxycarbonylphenylazo)-3-(2-methoxycarbonylethyl)-4-methyl-5-((2,5-dihydro-3-methyl-4-ethyl-5-oxo-2-pyrrolylidene)methyl)pyrrole
Ethyl 2-{(E)-[5-[(Z)-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]diazenyl}benzoate |
Wiley ID |
1394742 |