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

Systemtic Name: methyl N-[2,4-dinitro-6-(phenylmethylsulfanyl)phenyl]carbamate Openeye Name: methyl N-(2-benzylsulfanyl-4,6-dinitro-phenyl)carbamate CAS Name: N-[2,4-dinitro-6-(phenylmethylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-benzylsulfanyl-4,6-dinitrophenyl)carbamate Traditional Name: N-[2-(benzylthio)-4,6-dinitro-phenyl]carbamic acid methyl ester Formula: C15H13N3O6S MolecularWeight: 363.34522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=C(C=C1SCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC1=C(C=C(C=C1SCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6S/c1-24-15(19)16-14-12(18(22)23)7-11(17(20)21)8-13(14)25-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,19)