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6-Amino-4-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 9sVfbxtStWK
InChI InChI=1S/C21H17N5O5/c1-29-15-7-6-11(9-16(15)30-2)17-14(10-22)20(23)31-21-18(17)19(24-25-21)12-4-3-5-13(8-12)26(27)28/h3-9,17H,23H2,1-2H3,(H,24,25)
InChIKey WECRDDZVKUTWMV-UHFFFAOYSA-N
Mol Weight 419.4 g/mol
Molecular Formula C21H17N5O5
Exact Mass 419.122969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 585idNqVs0
Name 6-Amino-4-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Alternate Name(s) 6-Azanyl-4-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O5
InChI InChI=1S/C21H17N5O5/c1-29-15-7-6-11(9-16(15)30-2)17-14(10-22)20(23)31-21-18(17)19(24-25-21)12-4-3-5-13(8-12)26(27)28/h3-9,17H,23H2,1-2H3,(H,24,25)
InChIKey WECRDDZVKUTWMV-UHFFFAOYSA-N
Molecular Weight 419.397 g/mol
SMILES NC1=C(C(c2c(O1)[nH]nc2-c1cc(N(=O)=O)ccc1)c1cc(OC)c(cc1)OC)C#N
SPLASH splash10-0i00-6961000000-ed9a344bec3e296ab7a0
Wiley ID 1436835