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

Systemtic Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 4-nitro-2-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl]isoindoline-1,3-quinone Formula: C19H14N4O6 MolecularWeight: 394.33766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O6/c1-2-28-14-9-4-3-6-11(14)17-20-15(29-21-17)10-22-18(24)12-7-5-8-13(23(26)27)16(12)19(22)25/h3-9H,2,10H2,1H3