5-nitro-2-[(E)-2-(2-nitrophenyl)ethenyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-nitro-2-[(E)-2-(2-nitrophenyl)ethenyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-[(E)-2-(2-nitrophenyl)vinyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-nitro-2-[(E)-2-(2-nitrophenyl)ethenyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-nitro-2-[(E)-2-(2-nitrophenyl)ethenyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-[(E)-2-(2-nitrophenyl)vinyl]-1H-pyrimidin-6-one Formula: C12H8N4O6 MolecularWeight: 304.21512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O6/c17-11-10(16(21)22)12(18)14-9(13-11)6-5-7-3-1-2-4-8(7)15(19)20/h1-6H,(H2,13,14,17,18)/b6-5+