ethyl 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-5-nitro-2-phenoxy-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-5-nitro-2-phenoxy-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-5-nitro-2-phenoxy-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-5-nitro-2-phenoxy-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-5-nitro-2-phenoxypyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-5-nitro-2-phenoxy-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C23H22N6O6 MolecularWeight: 478.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=CC=CC=C2)OC3=CC(=C(C=C3)C#N)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=CC=CC=C2)OC3=CC(=C(C=C3)C#N)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O6/c1-4-33-19(30)14-25-21-20(29(31)32)22(27-23(26-21)35-16-8-6-5-7-9-16)34-17-11-10-15(13-24)18(12-17)28(2)3/h5-12H,4,14H2,1-3H3,(H,25,26,27)