(4-bromanyl-2-ethanoyl-phenyl) 2-methyl-5-propyl-pyrazole-3-carboxylate

Systemtic Name: (4-bromanyl-2-ethanoyl-phenyl) 2-methyl-5-propyl-pyrazole-3-carboxylate Openeye Name: (2-acetyl-4-bromo-phenyl) 2-methyl-5-propyl-pyrazole-3-carboxylate CAS Name: 2-methyl-5-propyl-3-pyrazolecarboxylic acid (2-acetyl-4-bromophenyl) ester IUPAC Name: (2-acetyl-4-bromophenyl) 2-methyl-5-propylpyrazole-3-carboxylate Traditional Name: 2-methyl-5-propyl-pyrazole-3-carboxylic acid (2-acetyl-4-bromo-phenyl) ester Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=O)C)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=O)C)C

InChI

InChI=1S/C16H17BrN2O3/c1-4-5-12-9-14(19(3)18-12)16(21)22-15-7-6-11(17)8-13(15)10(2)20/h6-9H,4-5H2,1-3H3