1-(3,4-dimethyl-5-nitro-phenyl)sulfonylpyrrolidine

Systemtic Name: 1-(3,4-dimethyl-5-nitro-phenyl)sulfonylpyrrolidine Openeye Name: 1-(3,4-dimethyl-5-nitro-phenyl)sulfonylpyrrolidine CAS Name: 1-(3,4-dimethyl-5-nitrophenyl)sulfonylpyrrolidine IUPAC Name: 1-(3,4-dimethyl-5-nitrophenyl)sulfonylpyrrolidine Traditional Name: 1-(3,4-dimethyl-5-nitro-phenyl)sulfonylpyrrolidine Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCCC2

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCCC2

InChI

InChI=1S/C12H16N2O4S/c1-9-7-11(8-12(10(9)2)14(15)16)19(17,18)13-5-3-4-6-13/h7-8H,3-6H2,1-2H3