1-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[2-(2-cyanoethylamino)-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[2-(2-cyanoethylamino)-2-oxoethyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(2-cyanoethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[2-(2-cyanoethylamino)-2-keto-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCCC#N)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCCC#N)C)C(=O)O

InChI

InChI=1S/C11H14N4O3/c1-7-10(11(17)18)8(2)15(14-7)6-9(16)13-5-3-4-12/h3,5-6H2,1-2H3,(H,13,16)(H,17,18)