2-[2-[5-cyano-2-(diethylcarbamoyl)phenoxy]-6-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxypropanoic acid

Systemtic Name: 2-[2-[5-cyano-2-(diethylcarbamoyl)phenoxy]-6-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxypropanoic acid Openeye Name: 2-[2-[5-cyano-2-(diethylcarbamoyl)phenoxy]-6-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxypropanoic acid CAS Name: 2-[[2-[5-cyano-2-[diethylamino(oxo)methyl]phenoxy]-6-[3-[diethylamino(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]oxy]propanoic acid IUPAC Name: 2-[2-[5-cyano-2-(diethylcarbamoyl)phenoxy]-6-[3-(diethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]oxypropanoic acid Traditional Name: 2-[2-[5-cyano-2-(diethylcarbamoyl)phenoxy]-6-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxypropionic acid Formula: C30H32N6O9 MolecularWeight: 620.60988

Click to see the large picture

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)C(=O)N(CC)CC)OC(C)C(=O)O)[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)C(=O)N(CC)CC)OC(C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C30H32N6O9/c1-6-34(7-2)27(37)20-11-10-12-21(16-20)44-26-24(36(41)42)25(43-18(5)29(39)40)32-30(33-26)45-23-15-19(17-31)13-14-22(23)28(38)35(8-3)9-4/h10-16,18H,6-9H2,1-5H3,(H,39,40)