2-(4-nitrophenyl)-7-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-olate

Systemtic Name: 2-(4-nitrophenyl)-7-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-olate Openeye Name: 2-(4-nitrophenyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-olate CAS Name: 2-(4-nitrophenyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-olate IUPAC Name: 2-(4-nitrophenyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-olate Traditional Name: 7-keto-2-(4-nitrophenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-olate Formula: C11H5N4O4S- MolecularWeight: 289.2468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN3C(=CC(=O)N=C3S2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN3C(=CC(=O)N=C3S2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H6N4O4S/c16-8-5-9(17)14-11(12-8)20-10(13-14)6-1-3-7(4-2-6)15(18)19/h1-5,17H/p-1