2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 5-nitro-2-[(4-o-phenetylpiperazino)methyl]isoindoline-1,3-quinone Formula: C21H22N4O5 MolecularWeight: 410.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-2-30-19-6-4-3-5-18(19)23-11-9-22(10-12-23)14-24-20(26)16-8-7-15(25(28)29)13-17(16)21(24)27/h3-8,13H,2,9-12,14H2,1H3