[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O4/c1-14-21(15(2)26(25-14)18-7-5-4-6-8-18)24-20(27)13-29-22(28)16(3)30-19-11-9-17(23)10-12-19/h4-12,16H,13H2,1-3H3,(H,24,27)