2-(4-ethanoylpiperazin-1-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-acetylpiperazin-1-yl)-5-nitro-benzonitrile CAS Name: 2-(4-acetyl-1-piperazinyl)-5-nitrobenzonitrile IUPAC Name: 2-(4-acetylpiperazin-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(4-acetylpiperazino)-5-nitro-benzonitrile Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H14N4O3/c1-10(18)15-4-6-16(7-5-15)13-3-2-12(17(19)20)8-11(13)9-14/h2-3,8H,4-7H2,1H3