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

Systemtic Name: 2-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H12BrN3O5S MolecularWeight: 474.28468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3O5S/c1-28-15-6-5-10(20)7-13(15)17-21-11(9-29-17)8-22-18(24)12-3-2-4-14(23(26)27)16(12)19(22)25/h2-7,9H,8H2,1H3