2-chloro-5-{3-[(1E)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid

SpectraBase Compound ID	CPuQXYCKZIg
InChI	InChI=1S/C24H20ClN3O3/c1-14-6-4-5-7-22(14)27-23(29)18(13-26)11-17-10-15(2)28(16(17)3)19-8-9-21(25)20(12-19)24(30)31/h4-12H,1-3H3,(H,27,29)(H,30,31)/b18-11+
InChIKey	MXZVHXYERIKSSQ-WOJGMQOQSA-N Google Search
Mol Weight	433.9 g/mol
Molecular Formula	C24H20ClN3O3
Exact Mass	433.119319 g/mol

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SpectraBase Spectrum ID	A31q42tTkDi
Name	2-chloro-5-{3-[(1E)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C24H20ClN3O3/c1-14-6-4-5-7-22(14)27-23(29)18(13-26)11-17-10-15(2)28(16(17)3)19-8-9-21(25)20(12-19)24(30)31/h4-12H,1-3H3,(H,27,29)(H,30,31)/b18-11+
InChIKey	MXZVHXYERIKSSQ-WOJGMQOQSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11838
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 1003716; UBI_ID: UBI-011841
Synonyms	2-chloro-5-{3-[2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Temperature	318 °C