(4-acetamidophenyl) 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoate

Systemtic Name: (4-acetamidophenyl) 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoate Openeye Name: (4-acetamidophenyl) 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoate CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propionic acid (4-acetamidophenyl) ester Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)OC2=CC=C(C=C2)NC(=O)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)OC2=CC=C(C=C2)NC(=O)C)C)Br

InChI

InChI=1S/C16H18BrN3O3/c1-10-16(17)11(2)20(19-10)9-8-15(22)23-14-6-4-13(5-7-14)18-12(3)21/h4-7H,8-9H2,1-3H3,(H,18,21)