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

Systemtic Name: 3,5-dimethyl-1-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(allylamino)-1-methyl-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(allylamino)-2-keto-1-methyl-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NCC=C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NCC=C)C)C(=O)O

InChI

InChI=1S/C12H17N3O3/c1-5-6-13-11(16)9(4)15-8(3)10(12(17)18)7(2)14-15/h5,9H,1,6H2,2-4H3,(H,13,16)(H,17,18)