chloranylbenzene; [4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] ethanoate

Systemtic Name: chloranylbenzene; [4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] ethanoate Openeye Name: chlorobenzene; [4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] acetate CAS Name: acetic acid [4-[(2,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl] ester; chlorobenzene IUPAC Name: chlorobenzene; [4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] acetate Traditional Name: acetic acid [4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] ester; chlorobenzene Formula: C20H17Cl3N2O3 MolecularWeight: 439.71958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OC(=O)C)C.C1=CC=C(C=C1)Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OC(=O)C)C.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H12Cl2N2O3.C6H5Cl/c1-7-12(14(18(3)17-7)21-8(2)19)13(20)10-5-4-9(15)6-11(10)16;7-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5H