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

Systemtic Name: 2-[2-ethoxy-4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[2-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]phenoxy]acetic acid CAS Name: 2-[2-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid IUPAC Name: 2-[2-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid Traditional Name: 2-[2-ethoxy-4-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]phenoxy]acetic acid Formula: C16H15N3O8 MolecularWeight: 377.3056

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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)OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O8/c1-2-26-11-7-9(3-5-10(11)27-8-13(20)21)4-6-12-17-15(22)14(19(24)25)16(23)18-12/h3-7H,2,8H2,1H3,(H,20,21)(H2,17,18,22,23)/b6-4+