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

Systemtic Name: 1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[2-(cyanomethylamino)-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[2-(cyanomethylamino)-2-oxoethyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(cyanomethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[2-(cyanomethylamino)-2-keto-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C10H12N4O3 MolecularWeight: 236.22728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O3/c1-6-9(10(16)17)7(2)14(13-6)5-8(15)12-4-3-11/h4-5H2,1-2H3,(H,12,15)(H,16,17)