[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C20H22BrNO6 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC)C

InChI

InChI=1S/C20H22BrNO6/c1-11-7-6-8-14(12(11)2)22-16(23)10-28-20(24)13-9-15(25-3)18(26-4)19(27-5)17(13)21/h6-9H,10H2,1-5H3,(H,22,23)