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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

InChI

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