methyl N-[2-(2-hydroxyethylsulfanyl)-3,5-dinitro-phenyl]carbamate

Systemtic Name: methyl N-[2-(2-hydroxyethylsulfanyl)-3,5-dinitro-phenyl]carbamate Openeye Name: methyl N-[2-(2-hydroxyethylsulfanyl)-3,5-dinitro-phenyl]carbamate CAS Name: N-[2-(2-hydroxyethylthio)-3,5-dinitrophenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(2-hydroxyethylsulfanyl)-3,5-dinitrophenyl]carbamate Traditional Name: N-[2-(2-hydroxyethylthio)-3,5-dinitro-phenyl]carbamic acid methyl ester Formula: C10H11N3O7S MolecularWeight: 317.27524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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