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

Systemtic Name: propan-2-yl 4-[[5-[(3-chloranylphenoxy)methyl]furan-2-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[5-[(3-chlorophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[5-[(3-chlorophenoxy)methyl]-2-furoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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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=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5/c1-4-25-11-17(19(24-25)21(27)29-13(2)3)23-20(26)18-9-8-16(30-18)12-28-15-7-5-6-14(22)10-15/h5-11,13H,4,12H2,1-3H3,(H,23,26)