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CHEBI:112385 - 3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1H-indole-2-carboxylic acid methyl ester

ChEBI IDCHEBI:112385
ChEBI Name3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1H-indole-2-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC22H17N3O6
Net Charge0
Average Mass419.393
Monoisotopic Mass419.11174
SMILESCOC(=O)c1nc2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C22H17N3O6/c1-30-13-9-7-12(8-10-13)25-20(27)16(19(26)24-22(25)29)11-15-14-5-3-4-6-17(14)23-18(15)21(28)31-2/h3-11,23H,1-2H3,(H,24,26,29)
InChIKeyGRGGCAJTHAXZHH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1H-indole-2-carboxylic acid methyl ester (CHEBI:112385) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-23797LINCS