2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2-hydroxyethyl)piperazino]-5-nitro-benzonitrile Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H16N4O3/c14-10-11-9-12(17(19)20)1-2-13(11)16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8H2