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

Systemtic Name: 1,3-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]urea Openeye Name: 1,3-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]urea CAS Name: 1,3-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]urea IUPAC Name: 1,3-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]urea Traditional Name: 1,3-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]urea Formula: C19H22N4O9S2 MolecularWeight: 514.52938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)C[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)C[N+](=O)[O-])C

InChI

InChI=1S/C19H22N4O9S2/c1-11-5-15(6-12(2)17(11)33(29,30)9-22(25)26)20-19(24)21-16-7-13(3)18(14(4)8-16)34(31,32)10-23(27)28/h5-8H,9-10H2,1-4H3,(H2,20,21,24)