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4-[(9,10-diketo-1-nitro-anthracene-2-carbonyl)amino]benzoic acid ethyl ester
SpectraBase Compound ID 5eXnxV8sPaM
InChI InChI=1S/C24H16N2O7/c1-2-33-24(30)13-7-9-14(10-8-13)25-23(29)18-12-11-17-19(20(18)26(31)32)22(28)16-6-4-3-5-15(16)21(17)27/h3-12H,2H2,1H3,(H,25,29)
InChIKey NQLLXCCAQJJDDV-UHFFFAOYSA-N
Mol Weight 444.4 g/mol
Molecular Formula C24H16N2O7
Exact Mass 444.095751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mqP8gx8HXN
Name 4-[(9,10-diketo-1-nitro-anthracene-2-carbonyl)amino]benzoic acid ethyl ester
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Formula C24H16N2O7
InChI InChI=1S/C24H16N2O7/c1-2-33-24(30)13-7-9-14(10-8-13)25-23(29)18-12-11-17-19(20(18)26(31)32)22(28)16-6-4-3-5-15(16)21(17)27/h3-12H,2H2,1H3,(H,25,29)
InChIKey NQLLXCCAQJJDDV-UHFFFAOYSA-N
Molecular Weight 444.399 g/mol
SMILES N(C(c1c(c2C(c3ccccc3C(c2cc1)=O)=O)N(=O)=O)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-0f89-9840000000-d43a60bba03afcdb93b8
Synonyms 4-[[(1-nitro-9,10-dioxo-2-anthracenyl)-oxomethyl]amino]benzoic acid ethyl ester Ethyl 4-[(1-nitro-9,10-dioxo-anthracene-2-carbonyl)amino]benzoate Ethyl 4-[[1-nitro-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]benzoate
Wiley ID 1445664