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

Systemtic Name: 7-methyl-5-nitro-3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: 7-methyl-5-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: 7-methyl-5-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: 7-methyl-5-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: 7-methyl-5-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide Formula: C9H7N3O4S MolecularWeight: 253.23458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1SC(=[N+]2[O-])C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC2=C1SC(=[N+]2[O-])C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O4S/c1-4-2-5(12(15)16)3-6-7(4)17-9(8(10)13)11(6)14/h2-3H,1H3,(H2,10,13)