(4-nitrophenyl)methyl (NZ)-N-[methylsulfanyl-[(4-nitrophenyl)methoxycarbonylamino]methylidene]carbamate

Systemtic Name: (4-nitrophenyl)methyl (NZ)-N-[methylsulfanyl-[(4-nitrophenyl)methoxycarbonylamino]methylidene]carbamate Openeye Name: (4-nitrophenyl)methyl (NZ)-N-[methylsulfanyl-[(4-nitrophenyl)methoxycarbonylamino]methylene]carbamate CAS Name: (NZ)-N-[(methylthio)-[[(4-nitrophenyl)methoxy-oxomethyl]amino]methylidene]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (NZ)-N-[methylsulfanyl-[(4-nitrophenyl)methoxycarbonylamino]methylidene]carbamate Traditional Name: (NZ)-N-[(methylthio)-[(4-nitrobenzyl)oxycarbonylamino]methylene]carbamic acid (4-nitrobenzyl) ester Formula: C18H16N4O8S MolecularWeight: 448.40664

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS/C(=N\C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])/NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O8S/c1-31-16(19-17(23)29-10-12-2-6-14(7-3-12)21(25)26)20-18(24)30-11-13-4-8-15(9-5-13)22(27)28/h2-9H,10-11H2,1H3,(H,19,20,23,24)