[3-(2-dimethylaminoethylsulfanyl)-4-iodanyl-phenyl]-nitro-carbamic acid

Systemtic Name: [3-(2-dimethylaminoethylsulfanyl)-4-iodanyl-phenyl]-nitro-carbamic acid Openeye Name: [3-(2-dimethylaminoethylsulfanyl)-4-iodo-phenyl]-nitro-carbamic acid CAS Name: [3-(2-dimethylaminoethylthio)-4-iodophenyl]-nitrocarbamic acid IUPAC Name: [3-(2-dimethylaminoethylsulfanyl)-4-iodophenyl]-nitrocarbamic acid Traditional Name: [3-(2-dimethylaminoethylthio)-4-iodo-phenyl]-nitro-carbamic acid Formula: C11H14IN3O4S MolecularWeight: 411.21603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14IN3O4S/c1-13(2)5-6-20-10-7-8(3-4-9(10)12)14(11(16)17)15(18)19/h3-4,7H,5-6H2,1-2H3,(H,16,17)