1-(3-bromanyl-4-methoxy-phenyl)-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-pyrazol-1-yl-ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-pyrazol-1-yl-ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-(1-pyrazolyl)ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-pyrazol-1-ylethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-pyrazol-1-yl-ethanone Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C=CC=N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C=CC=N2)Br

InChI

InChI=1S/C12H11BrN2O2/c1-17-12-4-3-9(7-10(12)13)11(16)8-15-6-2-5-14-15/h2-7H,8H2,1H3