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4-[(2-keto-6-nitro-chromene-3-carbonyl)amino]benzoic acid ethyl ester
SpectraBase Compound ID 3NW2lsRLJOx
InChI InChI=1S/C19H14N2O7/c1-2-27-18(23)11-3-5-13(6-4-11)20-17(22)15-10-12-9-14(21(25)26)7-8-16(12)28-19(15)24/h3-10H,2H2,1H3,(H,20,22)
InChIKey DFXYGQZJSLTJGV-UHFFFAOYSA-N
Mol Weight 382.33 g/mol
Molecular Formula C19H14N2O7
Exact Mass 382.080101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2vx21vE1GS
Name 4-[(2-keto-6-nitro-chromene-3-carbonyl)amino]benzoic acid ethyl ester
Alternate Name(s) 4-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]benzoic acid ethyl ester Ethyl 4-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]benzoate Ethyl 4-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]benzoate Ethyl 4-{[(6-nitro-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoate
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Formula C19H14N2O7
InChI InChI=1S/C19H14N2O7/c1-2-27-18(23)11-3-5-13(6-4-11)20-17(22)15-10-12-9-14(21(25)26)7-8-16(12)28-19(15)24/h3-10H,2H2,1H3,(H,20,22)
InChIKey DFXYGQZJSLTJGV-UHFFFAOYSA-N
Molecular Weight 382.328 g/mol
SMILES N(C(C=1C(Oc2c(C1)cc(N(=O)=O)cc2)=O)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-01c0-6966000000-5f132243af65c5948f54
Wiley ID 1510798