3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-bis(prop-2-enyl)urea

Systemtic Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-bis(prop-2-enyl)urea Openeye Name: 1,1-diallyl-3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]urea CAS Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-bis(prop-2-enyl)urea IUPAC Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-bis(prop-2-enyl)urea Traditional Name: 1,1-diallyl-3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]urea Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-5-7-18(8-6-2)16(20)17-14-9-12(3)15(13(4)10-14)25(23,24)11-19(21)22/h5-6,9-10H,1-2,7-8,11H2,3-4H3,(H,17,20)