2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenoxy)isoindoline-1,3-quinone Formula: C21H11N3O5S MolecularWeight: 417.39414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O5S/c25-19-15-10-9-14(29-13-7-5-12(6-8-13)24(27)28)11-16(15)20(26)23(19)21-22-17-3-1-2-4-18(17)30-21/h1-11H