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E-1-Acetylamino-2-nitrophenyl-4-(5'- carbamoyl-3'-pyridyl) but-1-ene
SpectraBase Compound ID 3ehWGmHrN5A
InChI InChI=1S/C18H18N4O4/c1-12(23)21-16(15-6-2-3-8-17(15)22(25)26)7-4-5-13-9-14(18(19)24)11-20-10-13/h2-3,6-11H,4-5H2,1H3,(H2,19,24)(H,21,23)/b16-7+
InChIKey BTXXRXGCXIIORM-FRKPEAEDSA-N
Mol Weight 354.37 g/mol
Molecular Formula C18H18N4O4
Exact Mass 354.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lu8J29EoN8V
Name E-1-Acetylamino-2-nitrophenyl-4-(5'- carbamoyl-3'-pyridyl) but-1-ene
Alternate Name(s) 5-[(3E)-4-(acetylamino)-4-(2-nitrophenyl)-3-butenyl]nicotinamide E-1-acetylamino-2-nitrophenyl-4-(5'- carbamoyl-3'-pyridyl0 but-1-ene
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Formula C18H18N4O4
InChI InChI=1S/C18H18N4O4/c1-12(23)21-16(15-6-2-3-8-17(15)22(25)26)7-4-5-13-9-14(18(19)24)11-20-10-13/h2-3,6-11H,4-5H2,1H3,(H2,19,24)(H,21,23)/b16-7+
InChIKey BTXXRXGCXIIORM-FRKPEAEDSA-N
Molecular Weight 354.366 g/mol
SMILES N(\C(=C\CCc1cc(C(=O)N)cnc1)c1c(N(=O)=O)cccc1)C(=O)C
SPLASH splash10-0f80-0901000000-4ef1c398afe73edf79b4
Source of Spectrum K-127-1678-0
Wiley ID 1344429