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1,3-Benzenedicarboxylic acid, 5-[[(1-hydroxy-4-nitro-2-naphthalenyl)carbonyl]amino]-, dimethyl ester
SpectraBase Compound ID Ca4RrWUhYou
InChI InChI=1S/C21H16N2O8/c1-30-20(26)11-7-12(21(27)31-2)9-13(8-11)22-19(25)16-10-17(23(28)29)14-5-3-4-6-15(14)18(16)24/h3-10,24H,1-2H3,(H,22,25)
InChIKey ZFENXNKLHYFRIT-UHFFFAOYSA-N
Mol Weight 424.37 g/mol
Molecular Formula C21H16N2O8
Exact Mass 424.090665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GPmOJWlO9C
Name 1,3-Benzenedicarboxylic acid, 5-[[(1-hydroxy-4-nitro-2-naphthalenyl)carbonyl]amino]-, dimethyl ester
Alternate Name(s) Dimethyl 5-(1-hydroxy-4-nitro-2-naphthamido)isophthalate Dimethyl 5-{[(1-hydroxy-4-nitronaphthalen-2-yl)carbonyl]amino}benzene-1,3-dicarboxylate 5-[[(1-hydroxy-4-nitro-2-naphthalenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-[(1-hydroxy-4-nitronaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate Dimethyl 5-[(1-hydroxy-4-nitro-naphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate Dimethyl 5-[(4-nitro-1-oxidanyl-naphthalen-2-yl)carbonylamino]benzene-1,3-dicarboxylate
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Formula C21H16N2O8
InChI InChI=1S/C21H16N2O8/c1-30-20(26)11-7-12(21(27)31-2)9-13(8-11)22-19(25)16-10-17(23(28)29)14-5-3-4-6-15(14)18(16)24/h3-10,24H,1-2H3,(H,22,25)
InChIKey ZFENXNKLHYFRIT-UHFFFAOYSA-N
Molecular Weight 424.365 g/mol
SMILES N(c1cc(C(OC)=O)cc(c1)C(=O)OC)C(c1c(c2ccccc2c(c1)[N+]([O-])=O)O)=O
SPLASH splash10-0a4i-4950100000-ed4682bade4a3dcbfb8b
Source of Spectrum JX-2015-4-306
Wiley ID 1725753