ethyl 3-[2-(5-cyano-2-methyl-phenoxy)-6-(2-ethoxy-2-oxidanylidene-ethoxy)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate

Systemtic Name: ethyl 3-[2-(5-cyano-2-methyl-phenoxy)-6-(2-ethoxy-2-oxidanylidene-ethoxy)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate Openeye Name: ethyl 3-[2-(5-cyano-2-methyl-phenoxy)-6-(2-ethoxy-2-oxo-ethoxy)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate CAS Name: 3-[[2-(5-cyano-2-methylphenoxy)-6-(2-ethoxy-2-oxoethoxy)-5-nitro-4-pyrimidinyl]oxy]-5-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(5-cyano-2-methylphenoxy)-6-(2-ethoxy-2-oxoethoxy)-5-nitropyrimidin-4-yl]oxy-5-methylbenzoate Traditional Name: 3-[2-(5-cyano-2-methyl-phenoxy)-6-(2-ethoxy-2-keto-ethoxy)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoic acid ethyl ester Formula: C26H24N4O9 MolecularWeight: 536.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C)C(=O)OCC)OC3=C(C=CC(=C3)C#N)C

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C)C(=O)OCC)OC3=C(C=CC(=C3)C#N)C

InChI

InChI=1S/C26H24N4O9/c1-5-35-21(31)14-37-23-22(30(33)34)24(38-19-10-15(3)9-18(12-19)25(32)36-6-2)29-26(28-23)39-20-11-17(13-27)8-7-16(20)4/h7-12H,5-6,14H2,1-4H3