[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H17ClN2O5/c1-26-17-9-8-13(10-15(17)21)16(24)12-28-20(25)19-18(27-2)11-23(22-19)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3