5-(5-bromanyl-1-benzofuran-2-yl)-1H-pyrazole-4-carboxylate

Systemtic Name: 5-(5-bromanyl-1-benzofuran-2-yl)-1H-pyrazole-4-carboxylate Openeye Name: 5-(5-bromobenzofuran-2-yl)-1H-pyrazole-4-carboxylate CAS Name: 5-(5-bromo-2-benzofuranyl)-1H-pyrazole-4-carboxylate IUPAC Name: 5-(5-bromo-1-benzofuran-2-yl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(5-bromobenzofuran-2-yl)-1H-pyrazole-4-carboxylate Formula: C12H6BrN2O3- MolecularWeight: 306.09164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C=C(O2)C3=C(C=NN3)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C=C(O2)C3=C(C=NN3)C(=O)[O-]

InChI

InChI=1S/C12H7BrN2O3/c13-7-1-2-9-6(3-7)4-10(18-9)11-8(12(16)17)5-14-15-11/h1-5H,(H,14,15)(H,16,17)/p-1