2-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoic acid

Systemtic Name: 2-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoic acid Openeye Name: 2-(6-amino-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoic acid CAS Name: 2-[(6-amino-2-methylsulfonyl-5-nitro-4-pyrimidinyl)oxy]-4-cyanobenzoic acid IUPAC Name: 2-(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)oxy-4-cyanobenzoic acid Traditional Name: 2-(6-amino-2-mesyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzoic acid Formula: C13H9N5O7S MolecularWeight: 379.30486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=C(C=CC(=C2)C#N)C(=O)O)[N+](=O)[O-])N

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=C(C=CC(=C2)C#N)C(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C13H9N5O7S/c1-26(23,24)13-16-10(15)9(18(21)22)11(17-13)25-8-4-6(5-14)2-3-7(8)12(19)20/h2-4H,1H3,(H,19,20)(H2,15,16,17)