4-[[(2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)carbonylamino]methyl]benzoate

Systemtic Name: 4-[[(2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)carbonylamino]methyl]benzoate Openeye Name: 4-[[(2-oxido-4-oxo-1H-pyrimidine-6-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(2-oxido-4-oxo-1H-pyrimidin-6-yl)-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[(2-oxido-4-oxo-1H-pyrimidine-6-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(4-keto-2-oxido-1H-pyrimidine-6-carbonyl)amino]methyl]benzoate Formula: C13H9N3O5-2 MolecularWeight: 287.22766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=O)N=C(N2)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=O)N=C(N2)[O-])C(=O)[O-]

InChI

InChI=1S/C13H11N3O5/c17-10-5-9(15-13(21)16-10)11(18)14-6-7-1-3-8(4-2-7)12(19)20/h1-5H,6H2,(H,14,18)(H,19,20)(H2,15,16,17,21)/p-2