(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-sulfamoylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-sulfamoylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H14N2O8S MolecularWeight: 394.35596

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O8S/c17-27(22,23)14-3-1-10(2-4-14)16(19)25-8-12-6-13(18(20)21)5-11-7-24-9-26-15(11)12/h1-6H,7-9H2,(H2,17,22,23)