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

Systemtic Name: N-cyano-N,5-dimethyl-7-nitro-3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: N-cyano-N,5-dimethyl-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: N-cyano-N,5-dimethyl-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: N-cyano-N,5-dimethyl-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: N-cyano-N,5-dimethyl-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide Formula: C11H8N4O4S MolecularWeight: 292.27062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)[N+](=O)[O-])SC(=[N+]2[O-])C(=O)N(C)C#N

Isomeric SMILES

CC1=CC2=C(C(=C1)[N+](=O)[O-])SC(=[N+]2[O-])C(=O)N(C)C#N

InChI

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