2-[3-(4-nitrophenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-nitrophenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-[(4-nitrophenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[3-(4-nitrophenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-nitrophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-1-(4-nitrobenzyl)-2-piperidino-ethyl]isoindoline-1,3-quinone Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O5/c26-20-17-6-2-3-7-18(17)21(27)24(20)19(22(28)23-12-4-1-5-13-23)14-15-8-10-16(11-9-15)25(29)30/h2-3,6-11,19H,1,4-5,12-14H2