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Benzenepropanoic acid, .beta.-[[(4-amino-1,2,5-oxadiazol-3-yl)carbonyl]amino]-4-methyl-, ethyl ester, N-oxide
SpectraBase Compound ID JFNLKFFT8BF
InChI InChI=1S/C15H18N4O5/c1-3-23-12(20)8-11(10-6-4-9(2)5-7-10)17-15(21)13-14(16)18-24-19(13)22/h4-7,11H,3,8H2,1-2H3,(H2,16,18)(H,17,21)
InChIKey UWNGCVTTYAZCAF-UHFFFAOYSA-N
Mol Weight 334.33 g/mol
Molecular Formula C15H18N4O5
Exact Mass 334.12772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IMuXPkKmWU
Name Benzenepropanoic acid, .beta.-[[(4-amino-1,2,5-oxadiazol-3-yl)carbonyl]amino]-4-methyl-, ethyl ester, N-oxide
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Formula C15H18N4O5
InChI InChI=1S/C15H18N4O5/c1-3-23-12(20)8-11(10-6-4-9(2)5-7-10)17-15(21)13-14(16)18-24-19(13)22/h4-7,11H,3,8H2,1-2H3,(H2,16,18)(H,17,21)
InChIKey UWNGCVTTYAZCAF-UHFFFAOYSA-N
Molecular Weight 334.332 g/mol
SMILES N(C(c1c(no[n+]1[O-])N)=O)C(CC(OCC)=O)c1ccc(cc1)C
SPLASH splash10-00ke-4910000000-2291c985bf16346bd66a
Synonyms 3-[(4-amino-2-oxido-furazan-2-ium-3-carbonyl)amino]-3-(p-tolyl)propionic acid ethyl ester 3-[[(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester Ethyl 3-[(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonyl)amino]-3-(4-methylphenyl)propanoate Ethyl 3-[(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonyl)amino]-3-(p-tolyl)propanoate Ethyl 3-[(4-azanyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)carbonylamino]-3-(4-methylphenyl)propanoate Ethyl 3-{[(4-amino-2-oxido-1,2,5-oxadiazol-3-yl)carbonyl]amino}-3-(4-methylphenyl)propanoate
Wiley ID 1449099