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

Systemtic Name: 2-[4-bromanyl-2-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]phenoxy]acetic acid Formula: C14H10BrN3O7 MolecularWeight: 412.1491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC(=O)O

InChI

InChI=1S/C14H10BrN3O7/c15-8-2-3-9(25-6-11(19)20)7(5-8)1-4-10-16-13(21)12(18(23)24)14(22)17-10/h1-5H,6H2,(H,19,20)(H2,16,17,21,22)/b4-1+