ethyl 2-[2-(5-cyano-2-phenylmethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[2-(5-cyano-2-phenylmethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[2-(2-benzyloxy-5-cyano-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-cyano-2-phenylmethoxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[2-(2-benzoxy-5-cyano-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C31H27N5O9 MolecularWeight: 613.57418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)N(C)C)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)N(C)C)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C31H27N5O9/c1-4-41-26(37)19-43-28-27(36(39)40)29(44-23-12-8-11-22(16-23)30(38)35(2)3)34-31(33-28)45-25-15-21(17-32)13-14-24(25)42-18-20-9-6-5-7-10-20/h5-16H,4,18-19H2,1-3H3