2-[4-bromanyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[oxo-(1-phenyl-4-pyrazolyl)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O

InChI

InChI=1S/C18H13BrN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)