[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C17H20BrN3O5 MolecularWeight: 426.2618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)Br)OC

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)Br)OC

InChI

InChI=1S/C17H20BrN3O5/c1-10(2)21-14(5-6-19-21)20-15(22)9-26-17(23)11-7-12(24-3)16(18)13(8-11)25-4/h5-8,10H,9H2,1-4H3,(H,20,22)