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

Systemtic Name: methyl 3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-benzoate Openeye Name: methyl 3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-benzoate CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromopyrazol-1-yl)methyl]-4-methoxybenzoate Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-benzoic acid methyl ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3/c1-18-12-4-3-9(13(17)19-2)5-10(12)7-16-8-11(14)6-15-16/h3-6,8H,7H2,1-2H3