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

Systemtic Name: ethyl 2-[2-(3-aminocarbonyl-2,4-dimethyl-phenoxy)-6-(5-cyano-2-phenylmethoxy-phenoxy)-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(2-benzyloxy-5-cyano-phenoxy)-2-(3-carbamoyl-2,4-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[2-(3-carbamoyl-2,4-dimethylphenoxy)-6-(5-cyano-2-phenylmethoxyphenoxy)-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-carbamoyl-2,4-dimethylphenoxy)-6-(5-cyano-2-phenylmethoxyphenoxy)-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(2-benzoxy-5-cyano-phenoxy)-2-(3-carbamoyl-2,4-dimethyl-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=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)OC4=C(C(=C(C=C4)C)C(=O)N)C

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)OC4=C(C(=C(C=C4)C)C(=O)N)C

InChI

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