2-[2-(2-azanyl-5-cyano-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid

Systemtic Name: 2-[2-(2-azanyl-5-cyano-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid Openeye Name: 2-[2-(2-amino-5-cyano-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid CAS Name: 2-[[2-(2-amino-5-cyanophenoxy)-6-[3-[dimethylamino(oxo)methyl]-5-methylphenoxy]-5-nitro-4-pyrimidinyl]oxy]-3-methylbutanoic acid IUPAC Name: 2-[2-(2-amino-5-cyanophenoxy)-6-[3-(dimethylcarbamoyl)-5-methylphenoxy]-5-nitropyrimidin-4-yl]oxy-3-methylbutanoic acid Traditional Name: 2-[2-(2-amino-5-cyano-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butyric acid Formula: C26H26N6O8 MolecularWeight: 550.52004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C)OC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)N)OC(C(C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)C)OC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)N)OC(C(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O8/c1-13(2)21(25(34)35)40-23-20(32(36)37)22(38-17-9-14(3)8-16(11-17)24(33)31(4)5)29-26(30-23)39-19-10-15(12-27)6-7-18(19)28/h6-11,13,21H,28H2,1-5H3,(H,34,35)