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

Systemtic Name: (4-acetamidophenyl) 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: (4-acetamidophenyl) 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid (4-acetamidophenyl) ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C)C)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-12-19(21)13(2)24(23-12)17-8-4-15(5-9-17)20(26)27-18-10-6-16(7-11-18)22-14(3)25/h4-11H,1-3H3,(H,22,25)