(2-bromo-6-methoxy-4-{(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid

SpectraBase Compound ID	KBp6Ke8AcJy
InChI	InChI=1S/C20H16BrN3O7/c1-11-15(20(27)23(22-11)13-3-5-14(6-4-13)24(28)29)7-12-8-16(21)19(17(9-12)30-2)31-10-18(25)26/h3-9H,10H2,1-2H3,(H,25,26)/b15-7-
InChIKey	CAGIFAHCTFIBHX-CHHVJCJISA-N Google Search
Mol Weight	490.27 g/mol
Molecular Formula	C20H16BrN3O7
Exact Mass	489.017163 g/mol

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SpectraBase Spectrum ID	IihoSGoLRzv
Name	(2-bromo-6-methoxy-4-{(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetic 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/C20H16BrN3O7/c1-11-15(20(27)23(22-11)13-3-5-14(6-4-13)24(28)29)7-12-8-16(21)19(17(9-12)30-2)31-10-18(25)26/h3-9H,10H2,1-2H3,(H,25,26)/b15-7-
InChIKey	CAGIFAHCTFIBHX-CHHVJCJISA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_19809
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/9151163; UBI_ID: UBI-019813
Synonyms	(2-bromo-6-methoxy-4-{[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid
Temperature	308 °C