6-(3-nitrophenyl)-2-oxidanylidene-1-(oxidanylidenemethylidene)pyrimidin-1-ium-5-carboxylic acid

Systemtic Name: 6-(3-nitrophenyl)-2-oxidanylidene-1-(oxidanylidenemethylidene)pyrimidin-1-ium-5-carboxylic acid Openeye Name: 6-(3-nitrophenyl)-2-oxo-1-(oxomethylene)pyrimidin-1-ium-5-carboxylic acid CAS Name: 6-(3-nitrophenyl)-2-oxo-1-(oxomethylidene)-5-pyrimidin-1-iumcarboxylic acid IUPAC Name: 6-(3-nitrophenyl)-2-oxo-1-(oxomethylidene)pyrimidin-1-ium-5-carboxylic acid Traditional Name: 2-keto-1-(ketomethylene)-6-(3-nitrophenyl)pyrimidin-1-ium-5-carboxylic acid Formula: C12H6N3O6+ MolecularWeight: 288.19254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C=NC(=O)[N+]2=C=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C=NC(=O)[N+]2=C=O)C(=O)O

InChI

InChI=1S/C12H5N3O6/c16-6-14-10(9(11(17)18)5-13-12(14)19)7-2-1-3-8(4-7)15(20)21/h1-5H/p+1