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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-N-(2-methyl-5-nitro-phenyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C14H11N4O4S+ MolecularWeight: 331.32654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CNC3=[N+](C2=O)C=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CNC3=[N+](C2=O)C=CS3

InChI

InChI=1S/C14H10N4O4S/c1-8-2-3-9(18(21)22)6-11(8)16-12(19)10-7-15-14-17(13(10)20)4-5-23-14/h2-7H,1H3,(H,16,19)/p+1