ethyl 3-bromanyl-5-oxidanylidene-2-propan-2-yl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-bromanyl-5-oxidanylidene-2-propan-2-yl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-bromo-2-isopropyl-5-oxo-1H-pyrazole-4-carboxylate CAS Name: 3-bromo-5-oxo-2-propan-2-yl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-bromo-5-oxo-2-propan-2-yl-1H-pyrazole-4-carboxylate Traditional Name: 5-bromo-1-isopropyl-3-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C9H13BrN2O3 MolecularWeight: 277.11512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=O)C(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=O)C(C)C)Br

InChI

InChI=1S/C9H13BrN2O3/c1-4-15-9(14)6-7(10)12(5(2)3)11-8(6)13/h5H,4H2,1-3H3,(H,11,13)