SpectraBase Spectrum ID |
CCuMZLXDH7l |
Name |
(E)-[1-(p-Tolyl)-3-[(p-tolyl)amino]-4-carboxyethyl-2-oxopyrrol-5-ylidene]dicarboxylic acid diethyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
506.205301307 u |
Formula |
C28H30N2O7 |
InChI |
InChI=1S/C28H30N2O7/c1-5-36-27(34)23(28(35)37-6-2)25-21(15-16-22(31)32)24(29-19-11-7-17(3)8-12-19)26(33)30(25)20-13-9-18(4)10-14-20/h7-14,29H,5-6,15-16H2,1-4H3,(H,31,32) |
InChIKey |
JEQJSQHUTBBDFR-UHFFFAOYSA-N |
Molecular Weight |
506.555 g/mol |
SMILES |
C1(N(C(=O)C(=C1CCC(=O)O)NC1=CC=C(C=C1)C)C1=CC=C(C=C1)C)=C(C(=O)OCC)C(=O)OCC |