2-[[(5-bromanylpyridin-3-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(5-bromanylpyridin-3-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(5-bromopyridine-3-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(5-bromo-3-pyridinyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(5-bromopyridine-3-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(5-bromonicotinoyl)amino]methyl]-4-nitro-phenolate Formula: C13H9BrN3O4- MolecularWeight: 351.13226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O4/c14-10-3-9(5-15-7-10)13(19)16-6-8-4-11(17(20)21)1-2-12(8)18/h1-5,7,18H,6H2,(H,16,19)/p-1