methyl 3-bromanyl-5-nitro-4-oxidanyl-benzoate

Systemtic Name: methyl 3-bromanyl-5-nitro-4-oxidanyl-benzoate Openeye Name: methyl 3-bromo-4-hydroxy-5-nitro-benzoate CAS Name: 3-bromo-4-hydroxy-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-hydroxy-5-nitrobenzoate Traditional Name: 3-bromo-4-hydroxy-5-nitro-benzoic acid methyl ester Formula: C8H6BrNO5 MolecularWeight: 276.04094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6BrNO5/c1-15-8(12)4-2-5(9)7(11)6(3-4)10(13)14/h2-3,11H,1H3