[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanylbenzoate

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanylbenzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C19H20BrNO3/c1-4-14-7-5-6-12(2)17(14)21-18(22)13(3)24-19(23)15-8-10-16(20)11-9-15/h5-11,13H,4H2,1-3H3,(H,21,22)