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

Systemtic Name: ethyl 3-[2-(5-cyano-2-methyl-phenoxy)-6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate Openeye Name: ethyl 3-[2-(5-cyano-2-methyl-phenoxy)-6-[(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoate CAS Name: 3-[[2-(5-cyano-2-methylphenoxy)-6-[(2-ethoxy-2-oxoethyl)amino]-5-nitro-4-pyrimidinyl]oxy]-5-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(5-cyano-2-methylphenoxy)-6-[(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]oxy-5-methylbenzoate Traditional Name: 3-[2-(5-cyano-2-methyl-phenoxy)-6-[(2-ethoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-4-yl]oxy-5-methyl-benzoic acid ethyl ester Formula: C26H25N5O8 MolecularWeight: 535.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=C(C=CC(=C2)C#N)C)OC3=CC(=CC(=C3)C)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=C(C=CC(=C2)C#N)C)OC3=CC(=CC(=C3)C)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O8/c1-5-36-21(32)14-28-23-22(31(34)35)24(38-19-10-15(3)9-18(12-19)25(33)37-6-2)30-26(29-23)39-20-11-17(13-27)8-7-16(20)4/h7-12H,5-6,14H2,1-4H3,(H,28,29,30)