5-[(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-acetyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-acetyl-3,5-dimethyl-1-pyrazolyl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-acetyl-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-acetyl-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)O)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)O)C)C(=O)C

InChI

InChI=1S/C13H14N2O4/c1-7-12(9(3)16)8(2)15(14-7)6-10-4-5-11(19-10)13(17)18/h4-5H,6H2,1-3H3,(H,17,18)