2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H11N3O4S MolecularWeight: 401.39474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O4S/c25-20-15-9-8-14(24(27)28)11-16(15)21(26)23(20)13-5-3-4-12(10-13)19-22-17-6-1-2-7-18(17)29-19/h1-11H