(4-nitrophenyl)methyl N-(2-sulfanylpentyl)carbamate

Systemtic Name: (4-nitrophenyl)methyl N-(2-sulfanylpentyl)carbamate Openeye Name: (4-nitrophenyl)methyl N-(2-sulfanylpentyl)carbamate CAS Name: N-(2-mercaptopentyl)carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-(2-sulfanylpentyl)carbamate Traditional Name: N-(2-mercaptopentyl)carbamic acid (4-nitrobenzyl) ester Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])S

Isomeric SMILES

CCCC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])S

InChI

InChI=1S/C13H18N2O4S/c1-2-3-12(20)8-14-13(16)19-9-10-4-6-11(7-5-10)15(17)18/h4-7,12,20H,2-3,8-9H2,1H3,(H,14,16)