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

Systemtic Name: 4-[5-[(E)-2-(5-nitro-2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)vinyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-(4-keto-5-nitro-2-oxido-1H-pyrimidin-6-yl)vinyl]-2-furyl]benzoate Formula: C17H9N3O7-2 MolecularWeight: 367.26926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=CC3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)/C=C/C3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H11N3O7/c21-15-14(20(25)26)12(18-17(24)19-15)7-5-11-6-8-13(27-11)9-1-3-10(4-2-9)16(22)23/h1-8H,(H,22,23)(H2,18,19,21,24)/p-2/b7-5+