methyl (2R)-4-(4-bromanyl-3-nitro-phenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-bromanyl-3-nitro-phenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-bromo-3-nitro-benzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-bromo-3-nitrophenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-bromo-3-nitrobenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-bromo-3-nitro-benzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C13H13BrN2O5S MolecularWeight: 389.22172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN2O5S/c1-21-13(18)11-7-15(4-5-22-11)12(17)8-2-3-9(14)10(6-8)16(19)20/h2-3,6,11H,4-5,7H2,1H3/t11-/m1/s1