4-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-(2,2-dimethylcoumaran-7-yl)oxy-3-nitro-phenyl]sulfonylmorpholine Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O7S/c1-20(2)13-14-4-3-5-18(19(14)29-20)28-17-7-6-15(12-16(17)22(23)24)30(25,26)21-8-10-27-11-9-21/h3-7,12H,8-11,13H2,1-2H3