5-[(4-bromanylpyrazol-1-yl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(4-bromanylpyrazol-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-bromo-1-pyrazolyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-bromopyrazol-1-yl)methyl]-2-furoate Formula: C9H6BrN2O3- MolecularWeight: 270.05954

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)[O-])CN2C=C(C=N2)Br

Isomeric SMILES

C1=C(OC(=C1)C(=O)[O-])CN2C=C(C=N2)Br

InChI

InChI=1S/C9H7BrN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)/p-1