2-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-isoindoline-1,3-quinone Formula: C16H9N3O4S MolecularWeight: 339.32536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O4S/c1-8-5-6-10-12(7-8)24-16(17-10)18-14(20)9-3-2-4-11(19(22)23)13(9)15(18)21/h2-7H,1H3