ethyl (4E)-4-[nitro(nitroso)methylidene]-2-oxidanylidene-6-phenyl-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4E)-4-[nitro(nitroso)methylidene]-2-oxidanylidene-6-phenyl-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4E)-4-[nitro(nitroso)methylene]-2-oxo-6-phenyl-1H-pyrimidine-5-carboxylate CAS Name: (4E)-4-[nitro(nitroso)methylidene]-2-oxo-6-phenyl-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-[nitro(nitroso)methylidene]-2-oxo-6-phenyl-1H-pyrimidine-5-carboxylate Traditional Name: (4E)-2-keto-4-[nitro(nitroso)methylene]-6-phenyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H12N4O6 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1=C(N=O)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C\1=C(NC(=O)N/C1=C(\N=O)/[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H12N4O6/c1-2-24-13(19)9-10(8-6-4-3-5-7-8)15-14(20)16-11(9)12(17-21)18(22)23/h3-7H,2H2,1H3,(H2,15,16,20)/b12-11+