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4-[(E)-2-(5-nitro-2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]benzoate

4-[(E)-2-(5-nitro-2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]benzoate

Systemtic Name:4-[(E)-2-(5-nitro-2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]benzoate
Openeye Name:4-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)vinyl]benzoate
CAS Name:4-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]benzoate
IUPAC Name:4-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]benzoate
Traditional Name:4-[(E)-2-(4-keto-5-nitro-2-oxido-1H-pyrimidin-6-yl)vinyl]benzoate
Formula: C13H7N3O6-2
MolecularWeight: 301.21118
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])C(=O)[O-]


Isomeric SMILES

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


InChI

InChI=1S/C13H9N3O6/c17-11-10(16(21)22)9(14-13(20)15-11)6-3-7-1-4-8(5-2-7)12(18)19/h1-6H,(H,18,19)(H2,14,15,17,20)/p-2/b6-3+


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