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

Systemtic Name: 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 4-nitro-2-[[2-(p-tolyl)thiazol-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 4-nitro-2-[[2-(p-tolyl)thiazol-4-yl]methyl]isoindoline-1,3-quinone Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O4S/c1-11-5-7-12(8-6-11)17-20-13(10-27-17)9-21-18(23)14-3-2-4-15(22(25)26)16(14)19(21)24/h2-8,10H,9H2,1H3