methyl 4-acetamido-5-bromanyl-3-nitro-2-oxidanyl-benzoate

Systemtic Name: methyl 4-acetamido-5-bromanyl-3-nitro-2-oxidanyl-benzoate Openeye Name: methyl 4-acetamido-5-bromo-2-hydroxy-3-nitro-benzoate CAS Name: 4-acetamido-5-bromo-2-hydroxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-acetamido-5-bromo-2-hydroxy-3-nitrobenzoate Traditional Name: 4-acetamido-5-bromo-2-hydroxy-3-nitro-benzoic acid methyl ester Formula: C10H9BrN2O6 MolecularWeight: 333.09226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)OC)Br

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)OC)Br

InChI

InChI=1S/C10H9BrN2O6/c1-4(14)12-7-6(11)3-5(10(16)19-2)9(15)8(7)13(17)18/h3,15H,1-2H3,(H,12,14)