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

Systemtic Name: methyl 3-bromanyl-4-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O4/c1-13-20(14(2)25(24-13)16-7-5-4-6-8-16)23-19(26)12-29-18-10-9-15(11-17(18)22)21(27)28-3/h4-11H,12H2,1-3H3,(H,23,26)