[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanylbenzoate

Systemtic Name: [1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanylbenzoate Openeye Name: [2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [1-(2,6-diethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-diethylanilino)-1-oxopropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H22BrNO3/c1-4-14-7-6-8-15(5-2)18(14)22-19(23)13(3)25-20(24)16-9-11-17(21)12-10-16/h6-13H,4-5H2,1-3H3,(H,22,23)