3-bromanyl-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid

Systemtic Name: 3-bromanyl-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid Openeye Name: 3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid CAS Name: 3-bromo-5-methoxy-4-[(1-methyl-4-pyrazolyl)methoxy]benzoic acid IUPAC Name: 3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid Traditional Name: 3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid Formula: C13H13BrN2O4 MolecularWeight: 341.15732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)COC2=C(C=C(C=C2Br)C(=O)O)OC

Isomeric SMILES

CN1C=C(C=N1)COC2=C(C=C(C=C2Br)C(=O)O)OC

InChI

InChI=1S/C13H13BrN2O4/c1-16-6-8(5-15-16)7-20-12-10(14)3-9(13(17)18)4-11(12)19-2/h3-6H,7H2,1-2H3,(H,17,18)