1-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[1-(2-furanylmethylamino)-1-oxopropan-2-yl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NCC2=CC=CO2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NCC2=CC=CO2)C)C(=O)O

InChI

InChI=1S/C14H17N3O4/c1-8-12(14(19)20)9(2)17(16-8)10(3)13(18)15-7-11-5-4-6-21-11/h4-6,10H,7H2,1-3H3,(H,15,18)(H,19,20)