(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(p-tolyl)vinylsulfonylamino]acetate CAS Name: 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate Traditional Name: 2-[2-(p-tolyl)vinylsulfonylamino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CS(=O)(=O)NCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC=C(C=C1)C=CS(=O)(=O)NCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H20N2O8S/c1-14-2-4-15(5-3-14)6-7-31(26,27)21-10-19(23)29-12-17-9-18(22(24)25)8-16-11-28-13-30-20(16)17/h2-9,21H,10-13H2,1H3