[(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [(1R)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(1R)-2-(3-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)OC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H16BrNO5/c1-11(17(21)20-13-6-4-5-12(19)9-13)24-18(22)16-10-23-14-7-2-3-8-15(14)25-16/h2-9,11,16H,10H2,1H3,(H,20,21)/t11-,16-/m1/s1