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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C19H20BrNO6 MolecularWeight: 438.2692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO6/c1-11-5-7-12(8-6-11)21-15(22)10-27-19(23)13-9-14(24-2)17(25-3)18(26-4)16(13)20/h5-9H,10H2,1-4H3,(H,21,22)