3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-benzoate

Systemtic Name: 3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-benzoate Openeye Name: 3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-benzoate CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]-4-methoxybenzoate IUPAC Name: 3-[(4-bromopyrazol-1-yl)methyl]-4-methoxybenzoate Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-benzoate Formula: C12H10BrN2O3- MolecularWeight: 310.1234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])CN2C=C(C=N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])CN2C=C(C=N2)Br

InChI

InChI=1S/C12H11BrN2O3/c1-18-11-3-2-8(12(16)17)4-9(11)6-15-7-10(13)5-14-15/h2-5,7H,6H2,1H3,(H,16,17)/p-1