propan-2-yl (1E)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2,4-dinitro-benzenecarboximidate

Systemtic Name: propan-2-yl (1E)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2,4-dinitro-benzenecarboximidate Openeye Name: isopropyl (1E)-N-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2,4-dinitro-benzenecarboximidate CAS Name: (1E)-N-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-2,4-dinitrobenzenecarboximidic acid propan-2-yl ester IUPAC Name: propan-2-yl (1E)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-2,4-dinitrobenzenecarboximidate Traditional Name: (1E)-N-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-2,4-dinitro-benzenecarboximidic acid isopropyl ester Formula: C22H24N4O8S MolecularWeight: 504.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=NSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)O/C(=N/SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)/C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O8S/c1-13(2)32-20(16-10-9-15(25(28)29)11-17(16)26(30)31)23-35-24(5)21(27)33-18-8-6-7-14-12-22(3,4)34-19(14)18/h6-11,13H,12H2,1-5H3/b23-20+