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

Systemtic Name: 2-[2-methoxy-4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-methoxy-phenoxy]acetic acid Formula: C15H13N3O8 MolecularWeight: 363.27902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC(=O)O

InChI

InChI=1S/C15H13N3O8/c1-25-10-6-8(2-4-9(10)26-7-12(19)20)3-5-11-16-14(21)13(18(23)24)15(22)17-11/h2-6H,7H2,1H3,(H,19,20)(H2,16,17,21,22)/b5-3+