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

Systemtic Name: 4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]benzoic acid Formula: C13H9N3O6 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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