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

Systemtic Name: 5-nitro-6-[(E)-2-(4-nitro-3-oxidanyl-phenyl)ethenyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(3-hydroxy-4-nitro-phenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione CAS Name: 6-[(E)-2-(3-hydroxy-4-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(E)-2-(3-hydroxy-4-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(3-hydroxy-4-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=C1C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O7/c17-9-5-6(2-4-8(9)15(20)21)1-3-7-10(16(22)23)11(18)14-12(19)13-7/h1-5,17H,(H2,13,14,18,19)/b3-1+