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

Systemtic Name: 4-nitro-2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[(3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl]isoindoline-1,3-quinone Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O5/c1-11(2)12-6-8-13(9-7-12)18-21-16(29-22-18)10-23-19(25)14-4-3-5-15(24(27)28)17(14)20(23)26/h3-9,11H,10H2,1-2H3