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

Systemtic Name: 2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[2-(3-bromophenyl)thiazol-4-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[2-(3-bromophenyl)-4-thiazolyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[2-(3-bromophenyl)thiazol-4-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C18H10BrN3O4S MolecularWeight: 444.2587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10BrN3O4S/c19-11-4-1-3-10(7-11)16-20-12(9-27-16)8-21-17(23)13-5-2-6-14(22(25)26)15(13)18(21)24/h1-7,9H,8H2