(phenylmethyl) N-nitrocarbonyl-N-(5-oxidanylidenedibenzothiophen-2-yl)carbamate

Systemtic Name: (phenylmethyl) N-nitrocarbonyl-N-(5-oxidanylidenedibenzothiophen-2-yl)carbamate Openeye Name: benzyl N-nitrocarbonyl-N-(5-oxodibenzothiophen-2-yl)carbamate CAS Name: N-[nitro(oxo)methyl]-N-(5-oxo-2-dibenzothiophenyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-nitrocarbonyl-N-(5-oxodibenzothiophen-2-yl)carbamate Traditional Name: N-(5-ketodibenzothiophen-2-yl)-N-nitrocarbonyl-carbamic acid benzyl ester Formula: C21H14N2O6S MolecularWeight: 422.41066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C2=CC3=C(C=C2)S(=O)C4=CC=CC=C43)C(=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C2=CC3=C(C=C2)S(=O)C4=CC=CC=C43)C(=O)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O6S/c24-20(23(26)27)22(21(25)29-13-14-6-2-1-3-7-14)15-10-11-19-17(12-15)16-8-4-5-9-18(16)30(19)28/h1-12H,13H2