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

Systemtic Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C12H8N4O5 MolecularWeight: 288.21572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O5/c1-6-13-14-10(21-6)5-15-11(17)8-3-2-7(16(19)20)4-9(8)12(15)18/h2-4H,5H2,1H3