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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-nitro-benzonitrile Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H18N4O3/c1-14(24)15-2-4-17(5-3-15)21-8-10-22(11-9-21)19-7-6-18(23(25)26)12-16(19)13-20/h2-7,12H,8-11H2,1H3