(4-nitrophenyl)methyl N-[(3-oxidanyl-4-sulfanyl-oxolan-2-yl)methyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[(3-oxidanyl-4-sulfanyl-oxolan-2-yl)methyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[(3-hydroxy-4-sulfanyl-tetrahydrofuran-2-yl)methyl]carbamate CAS Name: N-[(3-hydroxy-4-mercapto-2-oxolanyl)methyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[(3-hydroxy-4-sulfanyloxolan-2-yl)methyl]carbamate Traditional Name: N-[(3-hydroxy-4-mercapto-tetrahydrofuran-2-yl)methyl]carbamic acid (4-nitrobenzyl) ester Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)S

Isomeric SMILES

C1C(C(C(O1)CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)S

InChI

InChI=1S/C13H16N2O6S/c16-12-10(20-7-11(12)22)5-14-13(17)21-6-8-1-3-9(4-2-8)15(18)19/h1-4,10-12,16,22H,5-7H2,(H,14,17)