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

Systemtic Name: N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[(4-fluorophenyl)-(2-thienyl)methyl]propionamide Formula: C22H16FN3O5S MolecularWeight: 453.442943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=C(C=C1)F)C2=CC=CS2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(C1=CC=C(C=C1)F)C2=CC=CS2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16FN3O5S/c1-12(25-21(28)15-4-2-5-16(26(30)31)18(15)22(25)29)20(27)24-19(17-6-3-11-32-17)13-7-9-14(23)10-8-13/h2-12,19H,1H3,(H,24,27)