2-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S/c1-11(17-20-13-7-3-4-9-15(13)28-17)21(2)10-22-18(24)12-6-5-8-14(23(26)27)16(12)19(22)25/h3-9,11H,10H2,1-2H3/t11-/m1/s1