2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-nitro-phenolate

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-nitro-phenolate Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-nitro-phenolate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-nitrophenolate IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-nitrophenolate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-nitro-phenolate Formula: C15H13N2O7S- MolecularWeight: 365.33792

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])OC1

InChI

InChI=1S/C15H14N2O7S/c18-13-4-2-10(17(19)20)8-12(13)16-25(21,22)11-3-5-14-15(9-11)24-7-1-6-23-14/h2-5,8-9,16,18H,1,6-7H2/p-1