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

Systemtic Name: 5-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]-5-nitro-isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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