(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]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=C3SC4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O6S/c24-11-15-5-1-3-7-20(15)32-21-8-4-2-6-19(21)23(26)30-13-17-10-18(25(27)28)9-16-12-29-14-31-22(16)17/h1-10H,12-14H2