2-[5-(3-bromanyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-(3-bromanyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[5-(3-bromo-4-methoxy-phenyl)-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[5-(3-bromo-4-methoxy-phenyl)-1H-pyrazol-4-yl]acetic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)CC(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)CC(=O)O)Br

InChI

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