(3-bromanyl-5-nitro-4-oxidanyl-phenyl) benzoate

Systemtic Name: (3-bromanyl-5-nitro-4-oxidanyl-phenyl) benzoate Openeye Name: (3-bromo-4-hydroxy-5-nitro-phenyl) benzoate CAS Name: benzoic acid (3-bromo-4-hydroxy-5-nitrophenyl) ester IUPAC Name: (3-bromo-4-hydroxy-5-nitrophenyl) benzoate Traditional Name: benzoic acid (3-bromo-4-hydroxy-5-nitro-phenyl) ester Formula: C13H8BrNO5 MolecularWeight: 338.11032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C13H8BrNO5/c14-10-6-9(7-11(12(10)16)15(18)19)20-13(17)8-4-2-1-3-5-8/h1-7,16H