[4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] (E)-but-2-enoate

Systemtic Name: [4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] (E)-but-2-enoate Openeye Name: [4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [4-[(2,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl] ester IUPAC Name: [4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] ester Formula: C16H14Cl2N2O3 MolecularWeight: 353.19996

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OC1=C(C(=NN1C)C)C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C/C=C/C(=O)OC1=C(C(=NN1C)C)C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H14Cl2N2O3/c1-4-5-13(21)23-16-14(9(2)19-20(16)3)15(22)11-7-6-10(17)8-12(11)18/h4-8H,1-3H3/b5-4+