2-[4-(4-ethanoylpiperazin-1-yl)phenoxy]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-ethanoylpiperazin-1-yl)phenoxy]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-5-nitro-benzonitrile CAS Name: 2-[4-(4-acetyl-1-piperazinyl)phenoxy]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-acetylpiperazino)phenoxy]-5-nitro-benzonitrile Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H18N4O4/c1-14(24)21-8-10-22(11-9-21)16-2-5-18(6-3-16)27-19-7-4-17(23(25)26)12-15(19)13-20/h2-7,12H,8-11H2,1H3