4-[((2E)-2-cyano-3-{4-[(3-fluorobenzoyl)oxy]-3-methoxyphenyl}-2-propenoyl)amino]benzoic acid

SpectraBase Compound ID	Foj2pXNRjpn
InChI	InChI=1S/C25H17FN2O6/c1-33-22-12-15(5-10-21(22)34-25(32)17-3-2-4-19(26)13-17)11-18(14-27)23(29)28-20-8-6-16(7-9-20)24(30)31/h2-13H,1H3,(H,28,29)(H,30,31)/b18-11+
InChIKey	IVCPJTAKMOQIQM-WOJGMQOQSA-N Google Search
Mol Weight	460.42 g/mol
Molecular Formula	C25H17FN2O6
Exact Mass	460.107064 g/mol

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SpectraBase Spectrum ID	309Up2fd0eN
Name	4-[((2E)-2-cyano-3-{4-[(3-fluorobenzoyl)oxy]-3-methoxyphenyl}-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/C25H17FN2O6/c1-33-22-12-15(5-10-21(22)34-25(32)17-3-2-4-19(26)13-17)11-18(14-27)23(29)28-20-8-6-16(7-9-20)24(30)31/h2-13H,1H3,(H,28,29)(H,30,31)/b18-11+
InChIKey	IVCPJTAKMOQIQM-WOJGMQOQSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_9081
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: 1002733; UBI_ID: UBI-009084
Synonyms	4-[(2-cyano-3-{4-[(3-fluorobenzoyl)oxy]-3-methoxyphenyl}-2-propenoyl)amino]benzoic acid
Temperature	308 °C