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

Systemtic Name: ethyl 2-[2-(5-cyano-2-phenylmethoxy-phenoxy)-6-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[2-(2-benzyloxy-5-cyano-phenoxy)-6-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-6-[3-[diethylamino(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-cyano-2-phenylmethoxyphenoxy)-6-[3-(diethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[2-(2-benzoxy-5-cyano-phenoxy)-6-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C33H31N5O9 MolecularWeight: 641.62734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4)OCC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4)OCC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C33H31N5O9/c1-4-37(5-2)32(40)24-13-10-14-25(18-24)46-31-29(38(41)42)30(45-21-28(39)43-6-3)35-33(36-31)47-27-17-23(19-34)15-16-26(27)44-20-22-11-8-7-9-12-22/h7-18H,4-6,20-21H2,1-3H3