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CHEBI:40334 - 3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

Default Structure
ChEBI IDCHEBI:40334
ChEBI Name3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H15N3O4
Net Charge0
Average Mass289.291
Monoisotopic Mass289.10626
SMILES[H]c1c([H])c(-n2nc(C([H])([H])[H])c(C(=O)OC([H])([H])C([H])([H])[H])c2C([H])([H])[H])c([H])c([N+](=O)[O-])c1[H]
InChIInChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
InChIKeyMSYGAHOHLUJIKV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER (CHEBI:40334) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTERPDBeChem
ethyl 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylatePDBeChem
Manual XrefsDatabases
7DEPDBeChem