2-[[4-[4-(2-nitrophenyl)piperazin-1-yl]carbonylphenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[4-(2-nitrophenyl)piperazin-1-yl]carbonylphenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenoxy]methyl]benzonitrile Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C25H22N4O4/c26-17-20-5-1-2-6-21(20)18-33-22-11-9-19(10-12-22)25(30)28-15-13-27(14-16-28)23-7-3-4-8-24(23)29(31)32/h1-12H,13-16,18H2