ethyl 4-[[4-bromanyl-5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-bromanyl-5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-bromo-5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-bromo-5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-bromo-5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-bromo-5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]-4-keto-butyric acid ethyl ester Formula: C15H15BrClN3O3 MolecularWeight: 400.6549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=NNC(=C1Br)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=NNC(=C1Br)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H15BrClN3O3/c1-2-23-12(22)8-7-11(21)18-15-13(16)14(19-20-15)9-3-5-10(17)6-4-9/h3-6H,2,7-8H2,1H3,(H2,18,19,20,21)