(4-nitrophenyl)methyl N-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-sulfanyl-propyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-sulfanyl-propyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-sulfanyl-propyl]carbamate CAS Name: N-[2-mercapto-3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-sulfanylpropyl]carbamate Traditional Name: N-[2-mercapto-3-[(4-nitrobenzyl)oxycarbonylamino]propyl]carbamic acid (4-nitrobenzyl) ester Formula: C19H20N4O8S MolecularWeight: 464.4491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NCC(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NCC(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O8S/c24-18(30-11-13-1-5-15(6-2-13)22(26)27)20-9-17(32)10-21-19(25)31-12-14-3-7-16(8-4-14)23(28)29/h1-8,17,32H,9-12H2,(H,20,24)(H,21,25)