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6-Amino-3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID DqDZq2eGnOz
InChI InChI=1S/C21H16ClN5O5/c1-2-31-15-8-11(7-14(19(15)28)27(29)30)16-13(9-23)20(24)32-21-17(16)18(25-26-21)10-3-5-12(22)6-4-10/h3-8,16,28H,2,24H2,1H3,(H,25,26)
InChIKey FCHSDORHSKCATK-UHFFFAOYSA-N
Mol Weight 453.84 g/mol
Molecular Formula C21H16ClN5O5
Exact Mass 453.083996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kIWcEnKLF9
Name 6-Amino-3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Alternate Name(s) 6-Azanyl-3-(4-chlorophenyl)-4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClN5O5
InChI InChI=1S/C21H16ClN5O5/c1-2-31-15-8-11(7-14(19(15)28)27(29)30)16-13(9-23)20(24)32-21-17(16)18(25-26-21)10-3-5-12(22)6-4-10/h3-8,16,28H,2,24H2,1H3,(H,25,26)
InChIKey FCHSDORHSKCATK-UHFFFAOYSA-N
Molecular Weight 453.842 g/mol
SMILES Oc1c(cc(C2c3c(OC(=C2C#N)N)[nH]nc3-c2ccc(cc2)Cl)cc1OCC)N(=O)=O
SPLASH splash10-0gbi-9410000000-03f1e1574690e350b020
Wiley ID 1457821