methyl 3-(2-bromanyl-1-oxidanyl-ethyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(2-bromanyl-1-oxidanyl-ethyl)-5-nitro-benzoate Openeye Name: methyl 3-(2-bromo-1-hydroxy-ethyl)-5-nitro-benzoate CAS Name: 3-(2-bromo-1-hydroxyethyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2-bromo-1-hydroxyethyl)-5-nitrobenzoate Traditional Name: 3-(2-bromo-1-hydroxy-ethyl)-5-nitro-benzoic acid methyl ester Formula: C10H10BrNO5 MolecularWeight: 304.0941

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(CBr)O

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(CBr)O

InChI

InChI=1S/C10H10BrNO5/c1-17-10(14)7-2-6(9(13)5-11)3-8(4-7)12(15)16/h2-4,9,13H,5H2,1H3