3-nitro-4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzamide

Systemtic Name: 3-nitro-4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzamide Openeye Name: 3-nitro-4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzamide CAS Name: 3-nitro-4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzamide IUPAC Name: 3-nitro-4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzamide Traditional Name: 3-nitro-4-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]benzamide Formula: C15H11N3O6S MolecularWeight: 361.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O6S/c16-14(19)9-5-6-10(12(7-9)18(21)22)8-17-15(20)11-3-1-2-4-13(11)25(17,23)24/h1-7H,8H2,(H2,16,19)