(4-nitrophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate

Systemtic Name: (4-nitrophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate Openeye Name: (4-nitrophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid (4-nitrophenyl) ester Formula: C18H18N2O8S MolecularWeight: 422.40912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18N2O8S/c1-19(12-18(21)28-14-5-3-13(4-6-14)20(22)23)29(24,25)15-7-8-16-17(11-15)27-10-2-9-26-16/h3-8,11H,2,9-10,12H2,1H3