[5-(2-dimethylaminoethylsulfanyl)-4-iodanyl-2-nitro-phenyl]carbamic acid

Systemtic Name: [5-(2-dimethylaminoethylsulfanyl)-4-iodanyl-2-nitro-phenyl]carbamic acid Openeye Name: [5-(2-dimethylaminoethylsulfanyl)-4-iodo-2-nitro-phenyl]carbamic acid CAS Name: [5-(2-dimethylaminoethylthio)-4-iodo-2-nitrophenyl]carbamic acid IUPAC Name: [5-(2-dimethylaminoethylsulfanyl)-4-iodo-2-nitrophenyl]carbamic acid Traditional Name: [5-(2-dimethylaminoethylthio)-4-iodo-2-nitro-phenyl]carbamic acid Formula: C11H14IN3O4S MolecularWeight: 411.21603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=C(C=C(C(=C1)NC(=O)O)[N+](=O)[O-])I

Isomeric SMILES

CN(C)CCSC1=C(C=C(C(=C1)NC(=O)O)[N+](=O)[O-])I

InChI

InChI=1S/C11H14IN3O4S/c1-14(2)3-4-20-10-6-8(13-11(16)17)9(15(18)19)5-7(10)12/h5-6,13H,3-4H2,1-2H3,(H,16,17)