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3-CYANO-1,2-DIHYDRO-6-METHYL-5-NITRO-2-OXOISONICOTINIC ACID, METHYL ESTER
SpectraBase Compound ID GYFDDIb3q0P
InChI InChI=1S/C9H7N3O5/c1-4-7(12(15)16)6(9(14)17-2)5(3-10)8(13)11-4/h1-2H3,(H,11,13)
InChIKey XHJITVSOWRTYDH-UHFFFAOYSA-N
Mol Weight 237.17 g/mol
Molecular Formula C9H7N3O5
Exact Mass 237.03857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqET7ijKB5T
Name 4-Pyridinecarboxylic acid, 3-cyano-2-hydroxy-6-methyl-5-nitro-, methyl ester
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Formula C9H7N3O5
InChI InChI=1S/C9H7N3O5/c1-4-7(12(15)16)6(9(14)17-2)5(3-10)8(13)11-4/h1-2H3,(H,11,13)
InChIKey XHJITVSOWRTYDH-UHFFFAOYSA-N
Molecular Weight 237.171 g/mol
SMILES Oc1c(c(C(OC)=O)c(c(n1)C)[N+]([O-])=O)C#N
SPLASH splash10-0a73-9640000000-ee0a0cb4928424889b55
Source of Spectrum JX-2015-1-110
Synonyms Methyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate Methyl 3-cyano-2-hydroxy-6-methyl-5-nitropyridine-4-carboxylate 5-Cyano-2-methyl-3-nitro-6-oxo-1H-pyridine-4-carboxylic acid methyl ester Methyl 5-cyano-2-methyl-3-nitro-6-oxo-1H-pyridine-4-carboxylate Methyl 5-cyano-2-methyl-3-nitro-6-oxidanylidene-1H-pyridine-4-carboxylate
Wiley ID 1720968