sodium 4,4-dimethyl-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxidanylidene-pentanenitrile

Systemtic Name: sodium 4,4-dimethyl-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxidanylidene-pentanenitrile Openeye Name: sodium 4,4-dimethyl-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxo-pentanenitrile CAS Name: sodium 4,4-dimethyl-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxopentanenitrile IUPAC Name: sodium 4,4-dimethyl-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxopentanenitrile Traditional Name: sodium 3-keto-4,4-dimethyl-2-(7-nitropiazthiol-4-yl)valeronitrile Formula: C13H12N4NaO3S+ MolecularWeight: 327.31415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C#N)C1=CC=C(C2=NSN=C12)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C(=O)C(C#N)C1=CC=C(C2=NSN=C12)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C13H12N4O3S.Na/c1-13(2,3)12(18)8(6-14)7-4-5-9(17(19)20)11-10(7)15-21-16-11;/h4-5,8H,1-3H3;/q;+1