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

Systemtic Name: 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[3-(2-methoxyphenyl)-5-isoxazolyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H13N3O6 MolecularWeight: 379.32302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O6/c1-27-16-8-3-2-5-12(16)14-9-11(28-20-14)10-21-18(23)13-6-4-7-15(22(25)26)17(13)19(21)24/h2-9H,10H2,1H3