2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 4-nitro-2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 4-nitro-2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]isoindoline-1,3-quinone Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5/c1-10-5-7-11(8-6-10)16-19-14(20-27-16)9-21-17(23)12-3-2-4-13(22(25)26)15(12)18(21)24/h2-8H,9H2,1H3