propan-2-yl (1E)-N-[carbonofluoridoyl(methyl)amino]sulfanyl-2,4-dinitro-benzenecarboximidate

Systemtic Name: propan-2-yl (1E)-N-[carbonofluoridoyl(methyl)amino]sulfanyl-2,4-dinitro-benzenecarboximidate Openeye Name: isopropyl (1E)-N-[fluorocarbonyl(methyl)amino]sulfanyl-2,4-dinitro-benzenecarboximidate CAS Name: (1E)-N-[[carbonofluoridoyl(methyl)amino]thio]-2,4-dinitrobenzenecarboximidic acid propan-2-yl ester IUPAC Name: propan-2-yl (1E)-N-[carbonofluoridoyl(methyl)amino]sulfanyl-2,4-dinitrobenzenecarboximidate Traditional Name: (1E)-N-[[fluorocarbonyl(methyl)amino]thio]-2,4-dinitro-benzenecarboximidic acid isopropyl ester Formula: C12H13FN4O6S MolecularWeight: 360.318223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=NSN(C)C(=O)F)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)O/C(=N/SN(C)C(=O)F)/C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13FN4O6S/c1-7(2)23-11(14-24-15(3)12(13)18)9-5-4-8(16(19)20)6-10(9)17(21)22/h4-7H,1-3H3/b14-11+