1-[4-(2,5-dimethylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-(2,5-dimethylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-(2,5-dimethylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-(2,5-dimethylphenoxy)-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(2,5-dimethylphenoxy)-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(2,5-dimethylphenoxy)-3-nitro-phenyl]sulfonylpyrrolidine Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-13-5-6-14(2)18(11-13)25-17-8-7-15(12-16(17)20(21)22)26(23,24)19-9-3-4-10-19/h5-8,11-12H,3-4,9-10H2,1-2H3