3-nitro-4-[4-(2-phenoxyethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[4-(2-phenoxyethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(2-phenoxyethyl)piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-(2-phenoxyethyl)-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-(2-phenoxyethyl)piperazin-1-yl]benzonitrile Traditional Name: 3-nitro-4-[4-(2-phenoxyethyl)piperazino]benzonitrile Formula: C19H20N4O3 MolecularWeight: 352.3871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3/c20-15-16-6-7-18(19(14-16)23(24)25)22-10-8-21(9-11-22)12-13-26-17-4-2-1-3-5-17/h1-7,14H,8-13H2