2-[6-(5-cyano-2-nitro-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[6-(5-cyano-2-nitro-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[6-(5-cyano-2-nitro-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-phenyl-propanoic acid CAS Name: 2-[[6-(5-cyano-2-nitrophenoxy)-2-[3-[dimethylamino(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]oxy]-3-phenylpropanoic acid IUPAC Name: 2-[6-(5-cyano-2-nitrophenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]oxy-3-phenylpropanoic acid Traditional Name: 2-[6-(5-cyano-2-nitro-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-phenyl-propionic acid Formula: C29H22N6O10 MolecularWeight: 614.51918

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC(CC3=CC=CC=C3)C(=O)O)[N+](=O)[O-])OC4=C(C=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC(CC3=CC=CC=C3)C(=O)O)[N+](=O)[O-])OC4=C(C=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C29H22N6O10/c1-33(2)27(36)19-9-6-10-20(15-19)43-29-31-25(44-22-14-18(16-30)11-12-21(22)34(39)40)24(35(41)42)26(32-29)45-23(28(37)38)13-17-7-4-3-5-8-17/h3-12,14-15,23H,13H2,1-2H3,(H,37,38)