N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]benzenecarboximidate CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxy-2-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxy-2-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]benzenecarboximidate Formula: C22H18N3O8S- MolecularWeight: 484.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=NC3=CC4=C(C=C3)OCCO4)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=NC3=CC4=C(C=C3)OCCO4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O8S/c1-31-15-7-9-21(18(13-15)25(27)28)34(29,30)24-17-5-3-2-4-16(17)22(26)23-14-6-8-19-20(12-14)33-11-10-32-19/h2-9,12-13,24H,10-11H2,1H3,(H,23,26)/p-1