N-(3-nitrophenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: N-(3-nitrophenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(3-nitrophenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(3-nitrophenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(3-nitrophenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-N-(3-nitrophenyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C13H9N4O4S+ MolecularWeight: 317.29996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CNC3=[N+](C2=O)C=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CNC3=[N+](C2=O)C=CS3

InChI

InChI=1S/C13H8N4O4S/c18-11(15-8-2-1-3-9(6-8)17(20)21)10-7-14-13-16(12(10)19)4-5-22-13/h1-7H,(H,15,18)/p+1