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

Systemtic Name: 2-[6-(3-bromanyl-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxypropanoic acid Openeye Name: 2-[6-(3-bromo-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxypropanoic acid CAS Name: 2-[[6-(3-bromo-5-cyanophenoxy)-2-[3-[dimethylamino(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]oxy]propanoic acid IUPAC Name: 2-[6-(3-bromo-5-cyanophenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]oxypropanoic acid Traditional Name: 2-[6-(3-bromo-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxypropionic acid Formula: C23H18BrN5O8 MolecularWeight: 572.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)OC3=CC=CC(=C3)C(=O)N(C)C

Isomeric SMILES

CC(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)OC3=CC=CC(=C3)C(=O)N(C)C

InChI

InChI=1S/C23H18BrN5O8/c1-12(22(31)32)35-19-18(29(33)34)20(36-17-8-13(11-25)7-15(24)10-17)27-23(26-19)37-16-6-4-5-14(9-16)21(30)28(2)3/h4-10,12H,1-3H3,(H,31,32)