N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-3-nitro-N-phenethyl-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-3-nitro-N-phenethyl-benzamide Openeye Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitro-N-phenethyl-benzamide CAS Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitro-N-phenethylbenzamide IUPAC Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitro-N-phenethylbenzamide Traditional Name: N-(1,1-diketo-2,3-dihydrothiophen-3-yl)-3-nitro-N-phenethyl-benzamide Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)N(CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C=CS1(=O)=O)N(CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c22-19(16-7-4-8-17(13-16)21(23)24)20(18-10-12-27(25,26)14-18)11-9-15-5-2-1-3-6-15/h1-8,10,12-13,18H,9,11,14H2