5-nitro-6-[(E)-2-(3-nitro-2-oxidanyl-phenyl)ethenyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 5-nitro-6-[(E)-2-(3-nitro-2-oxidanyl-phenyl)ethenyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(2-hydroxy-3-nitro-phenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione CAS Name: 6-[(E)-2-(2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(E)-2-(2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(2-hydroxy-3-nitro-phenyl)vinyl]-5-nitro-uracil Formula: C12H8N4O7 MolecularWeight: 320.21452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])O)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O7/c17-10-6(2-1-3-8(10)15(20)21)4-5-7-9(16(22)23)11(18)14-12(19)13-7/h1-5,17H,(H2,13,14,18,19)/b5-4+