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2-Amino-1-(4-bromo-2-fluoro-phenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SpectraBase Compound ID ECvwbtyLpui
InChI InChI=1S/C22H16BrFN4O3/c23-13-6-9-17(16(24)10-13)27-18-2-1-3-19(29)21(18)20(15(11-25)22(27)26)12-4-7-14(8-5-12)28(30)31/h4-10,20H,1-3,26H2
InChIKey XRVAHIWYZQFZIY-UHFFFAOYSA-N
Mol Weight 483.3 g/mol
Molecular Formula C22H16BrFN4O3
Exact Mass 482.038982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kyvVt1ADNn
Name 2-Amino-1-(4-bromo-2-fluoro-phenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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Formula C22H16BrFN4O3
InChI InChI=1S/C22H16BrFN4O3/c23-13-6-9-17(16(24)10-13)27-18-2-1-3-19(29)21(18)20(15(11-25)22(27)26)12-4-7-14(8-5-12)28(30)31/h4-10,20H,1-3,26H2
InChIKey XRVAHIWYZQFZIY-UHFFFAOYSA-N
Molecular Weight 483.297 g/mol
SMILES NC=1N(c2c(cc(cc2)Br)F)C2=C(C(C1C#N)c1ccc(N(=O)=O)cc1)C(=O)CCC2
SPLASH splash10-03di-8519300000-d0fc3c2995afc6c5f7a5
Synonyms 2-Amino-1-(4-bromo-2-fluoro-phenyl)-5-keto-4-(4-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Wiley ID 1446567