sodium ethyl 2-cyano-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)ethanoate

Systemtic Name: sodium ethyl 2-cyano-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)ethanoate Openeye Name: sodium ethyl 2-cyano-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)acetate CAS Name: sodium 2-cyano-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)acetic acid ethyl ester IUPAC Name: sodium ethyl 2-cyano-2-(4-nitro-2,1,3-benzothiadiazol-7-yl)acetate Traditional Name: sodium 2-cyano-2-(7-nitropiazthiol-4-yl)acetic acid ethyl ester Formula: C11H8N4NaO4S+ MolecularWeight: 315.26039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O4S.Na/c1-2-19-11(16)7(5-12)6-3-4-8(15(17)18)10-9(6)13-20-14-10;/h3-4,7H,2H2,1H3;/q;+1