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benzonitrile, 2-[2-methoxy-4-[(Z)-(3-oxobenzo[b]thien-2(3H)-ylidene)methyl]phenoxy]-5-nitro-
SpectraBase Compound ID DhvDArYPTg3
InChI InChI=1S/C23H14N2O5S/c1-29-20-10-14(11-22-23(26)17-4-2-3-5-21(17)31-22)6-8-19(20)30-18-9-7-16(25(27)28)12-15(18)13-24/h2-12H,1H3/b22-11-
InChIKey MGBIFJBBQLLBCJ-JJFYIABZSA-N
Mol Weight 430.43 g/mol
Molecular Formula C23H14N2O5S
Exact Mass 430.062343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSmVXTKCPKx
Name 2-[2-methoxy-4-[(Z)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenoxy]-5-nitro-benzenecarbonitrile
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Formula C23H14N2O5S
InChI InChI=1S/C23H14N2O5S/c1-29-20-10-14(11-22-23(26)17-4-2-3-5-21(17)31-22)6-8-19(20)30-18-9-7-16(25(27)28)12-15(18)13-24/h2-12H,1H3/b22-11-
InChIKey MGBIFJBBQLLBCJ-JJFYIABZSA-N
Molecular Weight 430.434 g/mol
SMILES c12S\C(C(c1cccc2)=O)=C\c1cc(OC)c(Oc2c(C#N)cc(N(=O)=O)cc2)cc1
SPLASH splash10-0100-8981100000-3fad6849ccd24e4f8df1
Synonyms 2-[2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenoxy]-5-nitrobenzonitrile 2-[2-methoxy-4-[(Z)-(3-oxobenzothiophen-2-ylidene)methyl]phenoxy]-5-nitro-benzonitrile 2-[4-[(Z)-(3-ketobenzothiophen-2-ylidene)methyl]-2-methoxy-phenoxy]-5-nitro-benzonitrile
Wiley ID 1442626