4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-[4-(6-nitro-3-pyridyl)piperazino]ethoxy]benzonitrile Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3/c19-13-15-1-4-17(5-2-15)26-12-11-21-7-9-22(10-8-21)16-3-6-18(20-14-16)23(24)25/h1-6,14H,7-12H2