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

Systemtic Name: 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S/c1-28-16-5-3-4-14(17(16)29-2)18-21-11(10-30-18)9-22-19(24)13-7-6-12(23(26)27)8-15(13)20(22)25/h3-8,10H,9H2,1-2H3