N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[(4-fluorophenyl)-(2-thienyl)methyl]acetamide Formula: C21H14FN3O5S MolecularWeight: 439.416363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C21H14FN3O5S/c22-13-8-6-12(7-9-13)19(16-5-2-10-31-16)23-17(26)11-24-20(27)14-3-1-4-15(25(29)30)18(14)21(24)28/h1-10,19H,11H2,(H,23,26)