4-nitro-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5/c26-19(23-11-9-16(10-12-23)13-15-5-2-1-3-6-15)14-24-21(27)17-7-4-8-18(25(29)30)20(17)22(24)28/h1-8,16H,9-14H2