3-[4-azanyl-6-(3-bromanyl-5-cyano-phenoxy)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[4-azanyl-6-(3-bromanyl-5-cyano-phenoxy)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[4-amino-6-(3-bromo-5-cyano-phenoxy)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[4-amino-6-(3-bromo-5-cyanophenoxy)-5-nitro-2-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[4-amino-6-(3-bromo-5-cyanophenoxy)-5-nitropyrimidin-2-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[4-amino-6-(3-bromo-5-cyano-phenoxy)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Formula: C20H15BrN6O5 MolecularWeight: 499.2743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN6O5/c1-26(2)19(28)12-4-3-5-14(8-12)32-20-24-17(23)16(27(29)30)18(25-20)31-15-7-11(10-22)6-13(21)9-15/h3-9H,1-2H3,(H2,23,24,25)