[(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C13H15BrN2O6 MolecularWeight: 375.172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCCOC)OC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H15BrN2O6/c1-8(12(17)15-5-6-21-2)22-13(18)9-3-4-10(14)11(7-9)16(19)20/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)/t8-/m1/s1