[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(2-bromo-4-chloro-phenoxy)acetate CAS Name: 2-(2-bromo-4-chlorophenoxy)acetic 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-(2-bromo-4-chlorophenoxy)acetate Traditional Name: 2-(2-bromo-4-chloro-phenoxy)acetic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C21H19BrClN3O4 MolecularWeight: 492.75026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)COC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)COC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C21H19BrClN3O4/c1-13-21(14(2)26(25-13)16-6-4-3-5-7-16)24-19(27)11-30-20(28)12-29-18-9-8-15(23)10-17(18)22/h3-10H,11-12H2,1-2H3,(H,24,27)