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

Systemtic Name: 4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]benzoate Openeye Name: 4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]benzoate IUPAC Name: 4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]benzoate Formula: C13H8N3O6- MolecularWeight: 302.21912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=C(C(=O)NC(=O)N2)[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-1/b6-3+