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

Systemtic Name: methyl 2-[2-chloranyl-6-ethoxy-4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-chloro-6-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[2-chloro-6-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-chloro-6-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[2-chloro-6-ethoxy-4-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]phenoxy]acetic acid methyl ester Formula: C17H16ClN3O8 MolecularWeight: 425.77724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Cl)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Cl)OCC(=O)OC

InChI

InChI=1S/C17H16ClN3O8/c1-3-28-11-7-9(6-10(18)15(11)29-8-13(22)27-2)4-5-12-19-16(23)14(21(25)26)17(24)20-12/h4-7H,3,8H2,1-2H3,(H2,19,20,23,24)/b5-4+