(4-nitrophenyl)methyl N-(3-oxidanyl-2-sulfanyl-propyl)carbamate

Systemtic Name: (4-nitrophenyl)methyl N-(3-oxidanyl-2-sulfanyl-propyl)carbamate Openeye Name: (4-nitrophenyl)methyl N-(3-hydroxy-2-sulfanyl-propyl)carbamate CAS Name: N-(3-hydroxy-2-mercaptopropyl)carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-(3-hydroxy-2-sulfanylpropyl)carbamate Traditional Name: N-(3-hydroxy-2-mercapto-propyl)carbamic acid (4-nitrobenzyl) ester Formula: C11H14N2O5S MolecularWeight: 286.30426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NCC(CO)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NCC(CO)S)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5S/c14-6-10(19)5-12-11(15)18-7-8-1-3-9(4-2-8)13(16)17/h1-4,10,14,19H,5-7H2,(H,12,15)