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

Systemtic Name: ethyl 2-[[6-(5-cyano-2-phenylmethoxy-phenoxy)-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(2-benzyloxy-5-cyano-phenoxy)-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(5-cyano-2-phenylmethoxyphenoxy)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(5-cyano-2-phenylmethoxyphenoxy)-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(2-benzoxy-5-cyano-phenoxy)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C22H19N5O6 MolecularWeight: 449.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC=N1)OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC=N1)OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O6/c1-2-31-19(28)12-24-21-20(27(29)30)22(26-14-25-21)33-18-10-16(11-23)8-9-17(18)32-13-15-6-4-3-5-7-15/h3-10,14H,2,12-13H2,1H3,(H,24,25,26)