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

Systemtic Name: N-(4-fluorophenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide Openeye Name: N-(4-fluorophenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzamide CAS Name: N-(4-fluorophenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)benzamide IUPAC Name: N-(4-fluorophenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)benzamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4-fluorophenyl)benzamide Formula: C21H12FN3O5 MolecularWeight: 405.335483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H12FN3O5/c22-13-7-9-14(10-8-13)23-19(26)12-3-1-4-15(11-12)24-20(27)16-5-2-6-17(25(29)30)18(16)21(24)28/h1-11H,(H,23,26)