(4-nitrophenyl) 2-[[nitro(phenylsulfanyl)methyl]amino]ethyl carbonate

Systemtic Name: (4-nitrophenyl) 2-[[nitro(phenylsulfanyl)methyl]amino]ethyl carbonate Openeye Name: (4-nitrophenyl) 2-[[nitro(phenylsulfanyl)methyl]amino]ethyl carbonate CAS Name: carbonic acid (4-nitrophenyl) 2-[[nitro-(phenylthio)methyl]amino]ethyl ester IUPAC Name: (4-nitrophenyl) 2-[[nitro(phenylsulfanyl)methyl]amino]ethyl carbonate Traditional Name: carbonic acid (4-nitrophenyl) 2-[[nitro-(phenylthio)methyl]amino]ethyl ester Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(NCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC(NCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S/c20-16(26-13-8-6-12(7-9-13)18(21)22)25-11-10-17-15(19(23)24)27-14-4-2-1-3-5-14/h1-9,15,17H,10-11H2