ethyl 2-(3-bromophenyl)carbonyl-5-ethyl-3-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(3-bromophenyl)carbonyl-5-ethyl-3-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 2-(3-bromobenzoyl)-5-ethyl-3-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 2-[(3-bromophenyl)-oxomethyl]-5-ethyl-3-hydroxy-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-bromobenzoyl)-5-ethyl-3-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 2-(3-bromobenzoyl)-5-ethyl-3-hydroxy-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C15H17BrN2O4 MolecularWeight: 369.21048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(=O)OCC)O)C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCC1=NN(C(C1)(C(=O)OCC)O)C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C15H17BrN2O4/c1-3-12-9-15(21,14(20)22-4-2)18(17-12)13(19)10-6-5-7-11(16)8-10/h5-8,21H,3-4,9H2,1-2H3