sodium 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-(2-nitrophenyl)ethanenitrile

Systemtic Name: sodium 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-(2-nitrophenyl)ethanenitrile Openeye Name: sodium 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-(2-nitrophenyl)acetonitrile CAS Name: sodium 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-(2-nitrophenyl)acetonitrile IUPAC Name: sodium 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-(2-nitrophenyl)acetonitrile Traditional Name: sodium 2-(2-nitrophenyl)-2-(7-nitropiazthiol-4-yl)acetonitrile Formula: C14H7N5NaO4S+ MolecularWeight: 364.29125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C#N)C2=CC=C(C3=NSN=C23)[N+](=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(C#N)C2=CC=C(C3=NSN=C23)[N+](=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C14H7N5O4S.Na/c15-7-10(8-3-1-2-4-11(8)18(20)21)9-5-6-12(19(22)23)14-13(9)16-24-17-14;/h1-6,10H;/q;+1