2-(1,3-benzothiazol-2-ylmethyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-5-nitro-isoindoline-1,3-quinone Formula: C16H9N3O4S MolecularWeight: 339.32536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O4S/c20-15-10-6-5-9(19(22)23)7-11(10)16(21)18(15)8-14-17-12-3-1-2-4-13(12)24-14/h1-7H,8H2