2-[[6-(3-bromanyl-5-cyano-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 2-[[6-(3-bromanyl-5-cyano-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]propanoic acid Openeye Name: 2-[[6-(3-bromo-5-cyano-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]propanoic acid CAS Name: 2-[[6-(3-bromo-5-cyanophenoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 2-[[6-(3-bromo-5-cyanophenoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]amino]propanoic acid Traditional Name: 2-[[6-(3-bromo-5-cyano-phenoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]amino]propionic acid Formula: C15H12BrN5O7S MolecularWeight: 486.25408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC(=CC(=C2)C#N)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC(=CC(=C2)C#N)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrN5O7S/c1-7(14(22)23)18-12-11(21(24)25)13(20-15(19-12)29(2,26)27)28-10-4-8(6-17)3-9(16)5-10/h3-5,7H,1-2H3,(H,22,23)(H,18,19,20)