4-[(5-nitro-4-oxidanidyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoate

Systemtic Name: 4-[(5-nitro-4-oxidanidyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoate Openeye Name: 4-[(5-nitro-4-oxido-6-oxo-1H-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[(5-nitro-4-oxido-6-oxo-1H-pyrimidin-2-yl)amino]benzoate IUPAC Name: 4-[(5-nitro-4-oxido-6-oxo-1H-pyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(6-keto-5-nitro-4-oxido-1H-pyrimidin-2-yl)amino]benzoate Formula: C11H6N4O6-2 MolecularWeight: 290.18854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H8N4O6/c16-8-7(15(20)21)9(17)14-11(13-8)12-6-3-1-5(2-4-6)10(18)19/h1-4H,(H,18,19)(H3,12,13,14,16,17)/p-2