5-[(4-nitrophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,2,3]oxadiazolo[3,4-a]pyrazin-8-ium-3-olate

Systemtic Name: 5-[(4-nitrophenyl)methoxycarbonyl]-6,7-dihydro-4H-[1,2,3]oxadiazolo[3,4-a]pyrazin-8-ium-3-olate Openeye Name: 5-[(4-nitrophenyl)methoxycarbonyl]-6,7-dihydro-4H-oxadiazolo[3,4-a]pyrazin-8-ium-3-olate CAS Name: 5-[(4-nitrophenyl)methoxy-oxomethyl]-6,7-dihydro-4H-oxadiazolo[3,4-a]pyrazin-8-ium-3-olate IUPAC Name: 5-[(4-nitrophenyl)methoxycarbonyl]-6,7-dihydro-4H-oxadiazolo[3,4-a]pyrazin-8-ium-3-olate Traditional Name: 5-(4-nitrobenzyl)oxycarbonyl-6,7-dihydro-4H-oxadiazolo[3,4-a]pyrazin-8-ium-3-olate Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=NOC(=C2CN1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[N+]2=NOC(=C2CN1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H12N4O6/c18-12-11-7-15(5-6-16(11)14-23-12)13(19)22-8-9-1-3-10(4-2-9)17(20)21/h1-4H,5-8H2