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

Systemtic Name: 3,5-dimethyl-1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-2-(propargylamino)ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C11H13N3O3 MolecularWeight: 235.23922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3/c1-4-5-12-9(15)6-14-8(3)10(11(16)17)7(2)13-14/h1H,5-6H2,2-3H3,(H,12,15)(H,16,17)