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

Systemtic Name: 4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]benzoic acid CAS Name: 2-hydroxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]benzoic acid IUPAC Name: 2-hydroxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-hydroxy-benzoic acid Formula: C13H9N3O7 MolecularWeight: 319.22646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O7/c17-9-5-6(1-3-7(9)12(19)20)2-4-8-10(16(22)23)11(18)15-13(21)14-8/h1-5,17H,(H,19,20)(H2,14,15,18,21)/b4-2+