ethyl 5-(3-oxidanylidenebutanoylamino)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(3-oxidanylidenebutanoylamino)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(3-oxobutanoylamino)-1H-pyrazole-4-carboxylate CAS Name: 5-(1,3-dioxobutylamino)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-oxobutanoylamino)-1H-pyrazole-4-carboxylate Traditional Name: 5-(acetoacetylamino)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C10H13N3O4 MolecularWeight: 239.22792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NC(=O)CC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NC(=O)CC(=O)C

InChI

InChI=1S/C10H13N3O4/c1-3-17-10(16)7-5-11-13-9(7)12-8(15)4-6(2)14/h5H,3-4H2,1-2H3,(H2,11,12,13,15)