(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(4-bromoanilino)-2-oxo-ethoxy]benzoate CAS Name: 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate Traditional Name: 2-[2-(4-bromoanilino)-2-keto-ethoxy]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H22BrNO5/c1-21(2,3)18(24)12-28-20(26)16-6-4-5-7-17(16)27-13-19(25)23-15-10-8-14(22)9-11-15/h4-11H,12-13H2,1-3H3,(H,23,25)