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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic 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] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C20H17BrClN3O3 MolecularWeight: 462.72428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrClN3O3/c1-12-19(13(2)25(24-12)15-6-4-3-5-7-15)23-18(26)11-28-20(27)16-10-14(21)8-9-17(16)22/h3-10H,11H2,1-2H3,(H,23,26)