4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(4-acetylphenyl)-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(4-acetylphenyl)piperazino]-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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