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

Systemtic Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H9BrN4O5 MolecularWeight: 429.18116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NOC(=N2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NOC(=N2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H9BrN4O5/c18-10-4-1-3-9(7-10)15-19-13(27-20-15)8-21-16(23)11-5-2-6-12(22(25)26)14(11)17(21)24/h1-7H,8H2