[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4)Cl

InChI

InChI=1S/C22H19ClN2O4/c1-28-21-10-9-15(11-17(21)23)20(26)13-29-22(27)19-12-18(14-7-8-14)24-25(19)16-5-3-2-4-6-16/h2-6,9-12,14H,7-8,13H2,1H3