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

Systemtic Name: 2-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazol-2-yl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H13N5O6 MolecularWeight: 431.35782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O6/c1-11-17(18(24-32-11)12-5-3-2-4-6-12)19-23-22-16(31-19)10-25-20(27)14-8-7-13(26(29)30)9-15(14)21(25)28/h2-9H,10H2,1H3