3-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-nitro-benzenecarbonitrile

Systemtic Name: 3-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-nitro-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-nitro-benzonitrile CAS Name: 3-[(6-amino-2-methylsulfonyl-5-nitro-4-pyrimidinyl)oxy]-4-nitrobenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)oxy-4-nitrobenzonitrile Traditional Name: 3-(6-amino-2-mesyl-5-nitro-pyrimidin-4-yl)oxy-4-nitro-benzonitrile Formula: C12H8N6O7S MolecularWeight: 380.29292

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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)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C12H8N6O7S/c1-26(23,24)12-15-10(14)9(18(21)22)11(16-12)25-8-4-6(5-13)2-3-7(8)17(19)20/h2-4H,1H3,(H2,14,15,16)