methyl N-[4-nitro-2-(phenylmethylsulfanyl)phenyl]carbamate

Systemtic Name: methyl N-[4-nitro-2-(phenylmethylsulfanyl)phenyl]carbamate Openeye Name: methyl N-(2-benzylsulfanyl-4-nitro-phenyl)carbamate CAS Name: N-[4-nitro-2-(phenylmethylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-benzylsulfanyl-4-nitrophenyl)carbamate Traditional Name: N-[2-(benzylthio)-4-nitro-phenyl]carbamic acid methyl ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C15H14N2O4S/c1-21-15(18)16-13-8-7-12(17(19)20)9-14(13)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,18)