4-[(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoic acid

Systemtic Name: 4-[(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoic acid Openeye Name: 4-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoic acid CAS Name: 4-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoic acid IUPAC Name: 4-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoic acid Traditional Name: 4-[(4-keto-5-nitro-1H-pyrimidin-6-yl)amino]benzoic acid Formula: C11H8N4O5 MolecularWeight: 276.20502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O5/c16-10-8(15(19)20)9(12-5-13-10)14-7-3-1-6(2-4-7)11(17)18/h1-5H,(H,17,18)(H2,12,13,14,16)