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

Systemtic Name: ethyl 2-[4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]phenoxy]acetic acid ethyl ester Formula: C16H15N3O7 MolecularWeight: 361.3062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7/c1-2-25-13(20)9-26-11-6-3-10(4-7-11)5-8-12-17-15(21)14(19(23)24)16(22)18-12/h3-8H,2,9H2,1H3,(H2,17,18,21,22)/b8-5+