5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-chloro-1-pyrazolyl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-chloropyrazol-1-yl)methyl]-2-furoic acid Formula: C9H7ClN2O3 MolecularWeight: 226.61648

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)CN2C=C(C=N2)Cl

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CN2C=C(C=N2)Cl

InChI

InChI=1S/C9H7ClN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)