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

Systemtic Name: ethyl 2-[[2-(5-cyano-2-phenylmethoxy-phenoxy)-6-(diethylcarbamoyl)-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[2-(2-benzyloxy-5-cyano-phenoxy)-6-(diethylcarbamoyl)-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-6-[diethylamino(oxo)methyl]-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-6-(diethylcarbamoyl)-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[2-(2-benzoxy-5-cyano-phenoxy)-6-(diethylcarbamoyl)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C27H28N6O7 MolecularWeight: 548.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=NC(=N1)OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)NCC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=NC(=N1)OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)NCC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C27H28N6O7/c1-4-32(5-2)26(35)23-24(33(36)37)25(29-16-22(34)38-6-3)31-27(30-23)40-21-14-19(15-28)12-13-20(21)39-17-18-10-8-7-9-11-18/h7-14H,4-6,16-17H2,1-3H3,(H,29,30,31)