ethyl 5-oxidanylidene-2-propan-2-yl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-2-propan-2-yl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-isopropyl-5-oxo-1H-pyrazole-4-carboxylate CAS Name: 5-oxo-2-propan-2-yl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-2-propan-2-yl-1H-pyrazole-4-carboxylate Traditional Name: 1-isopropyl-3-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C9H14N2O3 MolecularWeight: 198.21906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(NC1=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN(NC1=O)C(C)C

InChI

InChI=1S/C9H14N2O3/c1-4-14-9(13)7-5-11(6(2)3)10-8(7)12/h5-6H,4H2,1-3H3,(H,10,12)