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6-Amino-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-Amino-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID ALoUeFRKFjJ
InChI InChI=1S/C21H17ClN4O4/c1-28-12-5-3-10(4-6-12)18-17-16(11-7-14(22)19(27)15(8-11)29-2)13(9-23)20(24)30-21(17)26-25-18/h3-8,16,27H,24H2,1-2H3,(H,25,26)
InChIKey QBFYQKFGQKYLMI-UHFFFAOYSA-N
Mol Weight 424.84 g/mol
Molecular Formula C21H17ClN4O4
Exact Mass 424.093833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2v5ifiOAuJ
Name 6-Amino-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN4O4
InChI InChI=1S/C21H17ClN4O4/c1-28-12-5-3-10(4-6-12)18-17-16(11-7-14(22)19(27)15(8-11)29-2)13(9-23)20(24)30-21(17)26-25-18/h3-8,16,27H,24H2,1-2H3,(H,25,26)
InChIKey QBFYQKFGQKYLMI-UHFFFAOYSA-N
Molecular Weight 424.844 g/mol
SMILES Oc1c(cc(C2c3c(OC(=C2C#N)N)[nH]nc3-c2ccc(cc2)OC)cc1OC)Cl
SPLASH splash10-014l-9870100000-79774f18c307eaa4ef65
Synonyms 6-Azanyl-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Wiley ID 1455306