[2-(3,4-dichlorophenyl)-4-oxidanylidene-1-(2-phenylpyrazol-3-yl)butyl] ethanoate

Systemtic Name: [2-(3,4-dichlorophenyl)-4-oxidanylidene-1-(2-phenylpyrazol-3-yl)butyl] ethanoate Openeye Name: [2-(3,4-dichlorophenyl)-4-oxo-1-(2-phenylpyrazol-3-yl)butyl] acetate CAS Name: acetic acid [2-(3,4-dichlorophenyl)-4-oxo-1-(2-phenyl-3-pyrazolyl)butyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-4-oxo-1-(2-phenylpyrazol-3-yl)butyl] acetate Traditional Name: acetic acid [2-(3,4-dichlorophenyl)-4-keto-1-(2-phenylpyrazol-3-yl)butyl] ester Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=NN1C2=CC=CC=C2)C(CC=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)OC(C1=CC=NN1C2=CC=CC=C2)C(CC=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3/c1-14(27)28-21(17(10-12-26)15-7-8-18(22)19(23)13-15)20-9-11-24-25(20)16-5-3-2-4-6-16/h2-9,11-13,17,21H,10H2,1H3