ethyl 3-azanyl-5-oxidanylidene-2-(phenylcarbonyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-5-oxidanylidene-2-(phenylcarbonyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-2-benzoyl-5-oxo-1H-pyrazole-4-carboxylate CAS Name: 3-amino-2-benzoyl-5-oxo-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-benzoyl-5-oxo-1H-pyrazole-4-carboxylate Traditional Name: 5-amino-1-benzoyl-3-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=O)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=O)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C13H13N3O4/c1-2-20-13(19)9-10(14)16(15-11(9)17)12(18)8-6-4-3-5-7-8/h3-7H,2,14H2,1H3,(H,15,17)