4-[[4-[2-(2-nitrophenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-nitrophenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-nitrophenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-nitrophenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-nitrophenoxy)acetyl]piperazino]methyl]benzonitrile Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c21-13-16-5-7-17(8-6-16)14-22-9-11-23(12-10-22)20(25)15-28-19-4-2-1-3-18(19)24(26)27/h1-8H,9-12,14-15H2