propan-2-yl 4-[[5-[(4-bromanyl-2-chloranyl-phenoxy)methyl]furan-2-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[5-[(4-bromanyl-2-chloranyl-phenoxy)methyl]furan-2-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[5-[(4-bromo-2-chloro-phenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[5-[(4-bromo-2-chlorophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[5-[(4-bromo-2-chloro-phenoxy)methyl]-2-furoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C21H21BrClN3O5 MolecularWeight: 510.76554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H21BrClN3O5/c1-4-26-10-16(19(25-26)21(28)30-12(2)3)24-20(27)18-8-6-14(31-18)11-29-17-7-5-13(22)9-15(17)23/h5-10,12H,4,11H2,1-3H3,(H,24,27)