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

Systemtic Name: 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(2,2-dimethylcoumaran-7-yl)oxy-3-nitro-phenyl]sulfonylpyrrolidine Formula: C20H22N2O6S MolecularWeight: 418.46348

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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)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O6S/c1-20(2)13-14-6-5-7-18(19(14)28-20)27-17-9-8-15(12-16(17)22(23)24)29(25,26)21-10-3-4-11-21/h5-9,12H,3-4,10-11,13H2,1-2H3