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6-Amino-3-(1,3-benzodioxol-5-yl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

View entire compound with spectra: 1 MS (GC)

6-Amino-3-(1,3-benzodioxol-5-yl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID G4DifiH7KS9
InChI InChI=1S/C20H12ClN5O5/c21-12-3-1-9(5-13(12)26(27)28)16-11(7-22)19(23)31-20-17(16)18(24-25-20)10-2-4-14-15(6-10)30-8-29-14/h1-6,16H,8,23H2,(H,24,25)
InChIKey HTMLJDFUPUBMSB-UHFFFAOYSA-N
Mol Weight 437.8 g/mol
Molecular Formula C20H12ClN5O5
Exact Mass 437.052696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlrQxR206Qx
Name 6-Amino-3-(1,3-benzodioxol-5-yl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12ClN5O5
InChI InChI=1S/C20H12ClN5O5/c21-12-3-1-9(5-13(12)26(27)28)16-11(7-22)19(23)31-20-17(16)18(24-25-20)10-2-4-14-15(6-10)30-8-29-14/h1-6,16H,8,23H2,(H,24,25)
InChIKey HTMLJDFUPUBMSB-UHFFFAOYSA-N
Molecular Weight 437.799 g/mol
SMILES NC1=C(C(c2c(O1)[nH]nc2-c1cc2OCOc2cc1)c1cc(N(=O)=O)c(cc1)Cl)C#N
SPLASH splash10-001i-9780100000-ead77a099d8466c76814
Synonyms 6-Amino-3-(1,3-benzodioxol-5-yl)-4-(4-chloro-3-nitro-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-Azanyl-3-(1,3-benzodioxol-5-yl)-4-(4-chloranyl-3-nitro-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Wiley ID 1459399