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

Systemtic Name: 4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(6-nitro-3-pyridyl)piperazino]ethoxy]benzonitrile Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N5O4/c19-11-14-1-4-16(5-2-14)27-13-18(24)22-9-7-21(8-10-22)15-3-6-17(20-12-15)23(25)26/h1-6,12H,7-10,13H2