N-methyl-2-(2-methyl-3-oxidanylidene-1,2-benzothiazol-1-ium-1-yl)-5-nitro-benzamide

Systemtic Name: N-methyl-2-(2-methyl-3-oxidanylidene-1,2-benzothiazol-1-ium-1-yl)-5-nitro-benzamide Openeye Name: N-methyl-2-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)-5-nitro-benzamide CAS Name: N-methyl-2-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)-5-nitrobenzamide IUPAC Name: N-methyl-2-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)-5-nitrobenzamide Traditional Name: 2-(3-keto-2-methyl-1,2-benzothiazol-1-ium-1-yl)-N-methyl-5-nitro-benzamide Formula: C16H14N3O4S+ MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])[S+]2C3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])[S+]2C3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C16H13N3O4S/c1-17-15(20)12-9-10(19(22)23)7-8-14(12)24-13-6-4-3-5-11(13)16(21)18(24)2/h3-9H,1-2H3/p+1