2-(4-methoxyphenyl)-5-nitro-3-[2-oxidanylidene-2-(4-oxidanylidenepiperidin-1-yl)ethyl]-3H-isoindol-1-one

Systemtic Name: 2-(4-methoxyphenyl)-5-nitro-3-[2-oxidanylidene-2-(4-oxidanylidenepiperidin-1-yl)ethyl]-3H-isoindol-1-one Openeye Name: 2-(4-methoxyphenyl)-5-nitro-3-[2-oxo-2-(4-oxo-1-piperidyl)ethyl]isoindolin-1-one CAS Name: 2-(4-methoxyphenyl)-5-nitro-3-[2-oxo-2-(4-oxo-1-piperidinyl)ethyl]-3H-isoindol-1-one IUPAC Name: 2-(4-methoxyphenyl)-5-nitro-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-3H-isoindol-1-one Traditional Name: 3-[2-keto-2-(4-ketopiperidino)ethyl]-2-(4-methoxyphenyl)-5-nitro-isoindolin-1-one Formula: C22H21N3O6 MolecularWeight: 423.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)[N+](=O)[O-])CC(=O)N4CCC(=O)CC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)[N+](=O)[O-])CC(=O)N4CCC(=O)CC4

InChI

InChI=1S/C22H21N3O6/c1-31-17-5-2-14(3-6-17)24-20(13-21(27)23-10-8-16(26)9-11-23)19-12-15(25(29)30)4-7-18(19)22(24)28/h2-7,12,20H,8-11,13H2,1H3