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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

InChI

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