azanium 3-acetamido-4-bromanyl-2-nitro-benzoate

Systemtic Name: azanium 3-acetamido-4-bromanyl-2-nitro-benzoate Openeye Name: ammonium 3-acetamido-4-bromo-2-nitro-benzoate CAS Name: ammonium 3-acetamido-4-bromo-2-nitrobenzoate IUPAC Name: azanium 3-acetamido-4-bromo-2-nitrobenzoate Traditional Name: ammonium 3-acetamido-4-bromo-2-nitro-benzoate Formula: C9H10BrN3O5 MolecularWeight: 320.0968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1[N+](=O)[O-])C(=O)[O-])Br.[NH4+]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1[N+](=O)[O-])C(=O)[O-])Br.[NH4+]

InChI

InChI=1S/C9H7BrN2O5.H3N/c1-4(13)11-7-6(10)3-2-5(9(14)15)8(7)12(16)17;/h2-3H,1H3,(H,11,13)(H,14,15);1H3