phenacyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: phenacyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: phenacyl 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid phenacyl ester Formula: C20H17ClN2O3 MolecularWeight: 368.81358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C20H17ClN2O3/c1-13-19(21)14(2)23(22-13)17-10-8-16(9-11-17)20(25)26-12-18(24)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3