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

Systemtic Name: 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NOC(=N1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O5/c1-8(2)6-11-16-12(24-17-11)7-18-14(20)9-4-3-5-10(19(22)23)13(9)15(18)21/h3-5,8H,6-7H2,1-2H3