3-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]benzoic acid

Systemtic Name: 3-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]benzoic acid Openeye Name: 3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]benzoic acid CAS Name: 3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]benzoic acid IUPAC Name: 3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]benzoic acid Traditional Name: 3-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]benzoic acid Formula: C13H9N3O6 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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