[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 4-(4-bromo-2-chloro-phenoxy)butanoate CAS Name: 4-(4-bromo-2-chlorophenoxy)butanoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 4-(4-bromo-2-chlorophenoxy)butanoate Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyric acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C20H21BrClNO4 MolecularWeight: 454.74204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Br)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Br)Cl)C

InChI

InChI=1S/C20H21BrClNO4/c1-13-5-3-6-17(14(13)2)23-19(24)12-27-20(25)7-4-10-26-18-9-8-15(21)11-16(18)22/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,23,24)