EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94357 - 2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester

ChEBI IDCHEBI:94357
ChEBI Name2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
Stars
DownloadsMolfile
FormulaC17H18N2O6
Net Charge0
Average Mass346.339
Monoisotopic Mass346.11649
SMILESCOC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
InChIKeyOSUCQKNXQBPLDG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester (CHEBI:94357) is a dihydropyridine (CHEBI:50075)
Manual XrefsDatabases
LSM-5021LINCS