CHEBI:109579 - 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester

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ChEBI Name 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester
ChEBI ID CHEBI:109579
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H17ClN4O5
Net Charge 0
Average Mass 428.826
Monoisotopic Mass 428.08875
InChI InChI=1S/C20H17ClN4O5/c1-12-9-13(2)24(23-12)16-6-3-14(4-7-16)20(27)30-11-19(26)22-17-8-5-15(21)10-18(17)25(28)29/h3-10H,11H2,1-2H3,(H,22,26)
InChIKey ZYKURNWGLNKKRW-UHFFFAOYSA-N
SMILES CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C
ChEBI Ontology
Outgoing 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester (CHEBI:109579) is a pyrazoles (CHEBI:26410)
4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester (CHEBI:109579) is a ring assembly (CHEBI:36820)
Manual Xref Database
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