3-{[(2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-propenoyl]amino}benzoic acid

SpectraBase Compound ID	6qGSErCKkut
InChI	InChI=1S/C20H16N4O4/c1-23-16-7-6-12(9-17(16)24(2)20(23)28)8-14(11-21)18(25)22-15-5-3-4-13(10-15)19(26)27/h3-10H,1-2H3,(H,22,25)(H,26,27)/b14-8+
InChIKey	XPCVDEANGXHIKD-RIYZIHGNSA-N Google Search
Mol Weight	376.37 g/mol
Molecular Formula	C20H16N4O4
Exact Mass	376.117155 g/mol

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SpectraBase Spectrum ID	KHPIKL71G2e
Name	3-{[(2E)-2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-propenoyl]amino}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/C20H16N4O4/c1-23-16-7-6-12(9-17(16)24(2)20(23)28)8-14(11-21)18(25)22-15-5-3-4-13(10-15)19(26)27/h3-10H,1-2H3,(H,22,25)(H,26,27)/b14-8+
InChIKey	XPCVDEANGXHIKD-RIYZIHGNSA-N
NMR Offset	17.5285
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UBI_21270_12152
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: UZI/1010011; UBI_ID: UBI-012155
Synonyms	3-{[2-cyano-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-propenoyl]amino}benzoic acid
Temperature	300 °C