3-((3-[(3-Carboxyanilino)carbonyl]benzoyl)amino)benzoic acid

SpectraBase Compound ID	E4TR39O5nMC
InChI	InChI=1S/C22H16N2O6/c25-19(23-17-8-2-6-15(11-17)21(27)28)13-4-1-5-14(10-13)20(26)24-18-9-3-7-16(12-18)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKey	IFJMMXLLAWHUJO-UHFFFAOYSA-N Google Search
Mol Weight	404.38 g/mol
Molecular Formula	C22H16N2O6
Exact Mass	404.100836 g/mol

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SpectraBase Spectrum ID	9CXmzwNLn5x
Name	3-((3-[(3-Carboxyanilino)carbonyl]benzoyl)amino)benzoic acid
Alternate Name(s)	3-[[3-[(3-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid 3-[[3-[(3-carboxyphenyl)carbamoyl]phenyl]carbonylamino]benzoic acid 3-[[[3-[(3-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzoic acid N,N'-Isophthaloylbis(3-aminobenzoic acid)
CAS Registry Number	94413-83-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H16N2O6
InChI	InChI=1S/C22H16N2O6/c25-19(23-17-8-2-6-15(11-17)21(27)28)13-4-1-5-14(10-13)20(26)24-18-9-3-7-16(12-18)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKey	IFJMMXLLAWHUJO-UHFFFAOYSA-N
Molecular Weight	404.378 g/mol
SMILES	OC(c1cccc(c1)NC(c1cc(C(=O)Nc2cc(C(=O)O)ccc2)ccc1)=O)=O
SPLASH	splash10-00kf-9000000000-9cbe76154ed030fad4db
Wiley ID	1468709