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

Systemtic Name: ethyl 2-[4-bromanyl-2-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-bromo-2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[4-bromo-2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[4-bromo-2-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]phenoxy]acetic acid ethyl ester Formula: C16H14BrN3O7 MolecularWeight: 440.20226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O7/c1-2-26-13(21)8-27-11-5-4-10(17)7-9(11)3-6-12-18-15(22)14(20(24)25)16(23)19-12/h3-7H,2,8H2,1H3,(H2,18,19,22,23)/b6-3+