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

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H14N4O7 MolecularWeight: 410.33706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C19H14N4O7/c1-28-13-7-6-10(8-14(13)29-2)17-20-15(30-21-17)9-22-18(24)11-4-3-5-12(23(26)27)16(11)19(22)25/h3-8H,9H2,1-2H3