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5-cyano-7-nitro-3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxamide

5-cyano-7-nitro-3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name:5-cyano-7-nitro-3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxamide
Openeye Name:5-cyano-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide
CAS Name:5-cyano-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide
IUPAC Name:5-cyano-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide
Traditional Name:5-cyano-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide
Formula: C9H4N4O4S
MolecularWeight: 264.21746
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])C#N


Isomeric SMILES

C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])C#N


InChI

InChI=1S/C9H4N4O4S/c10-3-4-1-5-7(6(2-4)13(16)17)18-9(8(11)14)12(5)15/h1-2H,(H2,11,14)


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