3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-dimethyl-urea

Systemtic Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-dimethyl-urea Openeye Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-dimethyl-urea CAS Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-dimethylurea IUPAC Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-dimethylurea Traditional Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-dimethyl-urea Formula: C12H17N3O5S MolecularWeight: 315.34548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)N(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)N(C)C

InChI

InChI=1S/C12H17N3O5S/c1-8-5-10(13-12(16)14(3)4)6-9(2)11(8)21(19,20)7-15(17)18/h5-6H,7H2,1-4H3,(H,13,16)