[1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21BrClNO6 MolecularWeight: 486.74084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

InChI

InChI=1S/C20H21BrClNO6/c1-10-13(22)7-6-8-14(10)23-19(24)11(2)29-20(25)12-9-15(26-3)17(27-4)18(28-5)16(12)21/h6-9,11H,1-5H3,(H,23,24)