(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H16N2O6S MolecularWeight: 448.44794

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O6S/c26-23(30-12-15-10-16(25(27)28)9-14-11-29-13-31-21(14)15)18-6-2-1-5-17(18)22-24-19-7-3-4-8-20(19)32-22/h1-10H,11-13H2