[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H18BrNO7 MolecularWeight: 452.25272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=C(C(=C3)OC)Br)OC

InChI

InChI=1S/C19H18BrNO7/c1-10(18(22)21-12-4-5-13-14(8-12)27-9-26-13)28-19(23)11-6-15(24-2)17(20)16(7-11)25-3/h4-8,10H,9H2,1-3H3,(H,21,22)