3-[4-(1,3-dihydroisoindol-2-yl)-3-nitro-phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-[4-(1,3-dihydroisoindol-2-yl)-3-nitro-phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-(4-isoindolin-2-yl-3-nitro-phenyl)-2H-oxadiazol-3-ium-5-one CAS Name: 3-[4-(1,3-dihydroisoindol-2-yl)-3-nitrophenyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[4-(1,3-dihydroisoindol-2-yl)-3-nitrophenyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-(4-isoindolin-2-yl-3-nitro-phenyl)-2H-oxadiazol-3-ium-5-one Formula: C16H13N4O4+ MolecularWeight: 325.29882

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1C3=C(C=C(C=C3)[N+]4=CC(=O)ON4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2CN1C3=C(C=C(C=C3)[N+]4=CC(=O)ON4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4/c21-16-10-19(17-24-16)13-5-6-14(15(7-13)20(22)23)18-8-11-3-1-2-4-12(11)9-18/h1-7,10H,8-9H2/p+1