propan-2-yl 4-[[4-[(4-bromanyl-2-chloranyl-phenoxy)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[4-[(4-bromanyl-2-chloranyl-phenoxy)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[4-[(4-bromo-2-chloro-phenoxy)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[4-[(4-bromo-2-chlorophenoxy)methyl]phenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-[(4-bromo-2-chlorophenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[4-[(4-bromo-2-chloro-phenoxy)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C23H23BrClN3O4 MolecularWeight: 520.80342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C23H23BrClN3O4/c1-4-28-12-19(21(27-28)23(30)32-14(2)3)26-22(29)16-7-5-15(6-8-16)13-31-20-10-9-17(24)11-18(20)25/h5-12,14H,4,13H2,1-3H3,(H,26,29)