methyl 2,6-bis(chloranyl)-3-(1-ethyl-5-phenylmethoxy-pyrazol-4-yl)carbonyl-benzoate

Systemtic Name: methyl 2,6-bis(chloranyl)-3-(1-ethyl-5-phenylmethoxy-pyrazol-4-yl)carbonyl-benzoate Openeye Name: methyl 3-(5-benzyloxy-1-ethyl-pyrazole-4-carbonyl)-2,6-dichloro-benzoate CAS Name: 2,6-dichloro-3-[(1-ethyl-5-phenylmethoxy-4-pyrazolyl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2,6-dichloro-3-(1-ethyl-5-phenylmethoxypyrazole-4-carbonyl)benzoate Traditional Name: 3-(5-benzoxy-1-ethyl-pyrazole-4-carbonyl)-2,6-dichloro-benzoic acid methyl ester Formula: C21H18Cl2N2O4 MolecularWeight: 433.28462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2=C(C(=C(C=C2)Cl)C(=O)OC)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=C(C(=C(C=C2)Cl)C(=O)OC)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18Cl2N2O4/c1-3-25-20(29-12-13-7-5-4-6-8-13)15(11-24-25)19(26)14-9-10-16(22)17(18(14)23)21(27)28-2/h4-11H,3,12H2,1-2H3