[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)COC(=O)C2=CC(=CC=C2)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)COC(=O)C2=CC(=CC=C2)Br)C

InChI

InChI=1S/C19H20BrNO4/c1-13-6-7-17(14(2)10-13)24-9-8-21-18(22)12-25-19(23)15-4-3-5-16(20)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,22)