(2-nitrophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (2-nitrophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (2-nitrobenzyl) ester Formula: C16H15N3O8S2 MolecularWeight: 441.4356

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O8S2/c1-28-15-7-6-12(8-14(15)19(23)24)29(25,26)17-9-16(20)27-10-11-4-2-3-5-13(11)18(21)22/h2-8,17H,9-10H2,1H3