N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-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=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

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