5-[2-(4-nitrophenyl)ethynyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 5-[2-(4-nitrophenyl)ethynyl]-1H-pyrimidine-2,4-dione Openeye Name: 5-[2-(4-nitrophenyl)ethynyl]-1H-pyrimidine-2,4-dione CAS Name: 5-[2-(4-nitrophenyl)ethynyl]-1H-pyrimidine-2,4-dione IUPAC Name: 5-[2-(4-nitrophenyl)ethynyl]-1H-pyrimidine-2,4-dione Traditional Name: 5-[2-(4-nitrophenyl)ethynyl]uracil Formula: C12H7N3O4 MolecularWeight: 257.20168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CNC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CNC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O4/c16-11-9(7-13-12(17)14-11)4-1-8-2-5-10(6-3-8)15(18)19/h2-3,5-7H,(H2,13,14,16,17)