CHEBI:114757 - 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester

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ChEBI Name 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester
ChEBI ID CHEBI:114757
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H18BrN3O3
Net Charge 0
Average Mass 380.237
Monoisotopic Mass 379.05315
InChI InChI=1S/C16H18BrN3O3/c1-4-20-14(13(17)9-18-20)15(21)19-12-7-5-11(6-8-12)16(22)23-10(2)3/h5-10H,4H2,1-3H3,(H,19,21)
InChIKey PQCYGOOWNHMIIA-UHFFFAOYSA-N
SMILES CCN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C
ChEBI Ontology
Outgoing 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester (CHEBI:114757) is a aromatic amide (CHEBI:62733)
4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester (CHEBI:114757) is a isopropyl ester (CHEBI:35725)
4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester (CHEBI:114757) is a secondary carboxamide (CHEBI:140325)
Manual Xref Database
LSM-26219 LINCS
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Last Modified
09 March 2018