5-nitro-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-phenoxy-benzamide

Systemtic Name: 5-nitro-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-phenoxy-benzamide Openeye Name: 5-nitro-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-phenoxy-benzamide CAS Name: 5-nitro-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-phenoxybenzamide IUPAC Name: 5-nitro-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-phenoxybenzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-5-nitro-2-phenoxy-benzamide Formula: C22H19N5O5 MolecularWeight: 433.41676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O5/c28-21-14-26(11-10-23-21)20-9-6-15(13-24-20)25-22(29)18-12-16(27(30)31)7-8-19(18)32-17-4-2-1-3-5-17/h1-9,12-13H,10-11,14H2,(H,23,28)(H,25,29)