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CHEBI:109319 - benzoic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] ester

ChEBI IDCHEBI:109319
ChEBI Namebenzoic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] ester
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Last Modified11 May 2016
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FormulaC22H18N4O4
Net Charge0
Average Mass402.410
Monoisotopic Mass402.13281
SMILESCOc1cc(C2C(C#N)=C(N)Oc3nnc(C)c32)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C22H18N4O4/c1-12-18-19(15(11-23)20(24)30-21(18)26-25-12)14-8-9-16(17(10-14)28-2)29-22(27)13-6-4-3-5-7-13/h3-10,19H,24H2,1-2H3,(H,25,26)
InChIKeyNJYKWBKAGBGGBL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
benzoic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] ester (CHEBI:109319) is a benzoate ester (CHEBI:36054)
benzoic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] ester (CHEBI:109319) is a pyranopyrazole (CHEBI:131903)
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