methyl N-[2-(2-hydroxyethylsulfanyl)-4,6-dinitro-phenyl]carbamate

Systemtic Name: methyl N-[2-(2-hydroxyethylsulfanyl)-4,6-dinitro-phenyl]carbamate Openeye Name: methyl N-[2-(2-hydroxyethylsulfanyl)-4,6-dinitro-phenyl]carbamate CAS Name: N-[2-(2-hydroxyethylthio)-4,6-dinitrophenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(2-hydroxyethylsulfanyl)-4,6-dinitrophenyl]carbamate Traditional Name: N-[2-(2-hydroxyethylthio)-4,6-dinitro-phenyl]carbamic acid methyl ester Formula: C10H11N3O7S MolecularWeight: 317.27524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=C(C=C1SCCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC1=C(C=C(C=C1SCCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O7S/c1-20-10(15)11-9-7(13(18)19)4-6(12(16)17)5-8(9)21-3-2-14/h4-5,14H,2-3H2,1H3,(H,11,15)