4-[(5-nitropyrimidin-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-nitropyrimidin-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-nitropyrimidin-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(5-nitro-2-pyrimidinyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(5-nitropyrimidin-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(5-nitropyrimidin-2-yl)amino]butyric acid Formula: C8H8N4O5 MolecularWeight: 240.17292

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=N1)NC(=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NC(=N1)NC(=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H8N4O5/c13-6(1-2-7(14)15)11-8-9-3-5(4-10-8)12(16)17/h3-4H,1-2H2,(H,14,15)(H,9,10,11,13)