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

Systemtic Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(3-chlorobenzyl)piperazino]-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H19ClN4O5 MolecularWeight: 442.85236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O5/c22-15-3-1-2-14(10-15)12-23-6-8-24(9-7-23)19(27)13-25-20(28)17-5-4-16(26(30)31)11-18(17)21(25)29/h1-5,10-11H,6-9,12-13H2