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

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(o-tolyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(2-methylphenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[4-(o-tolyl)piperazino]benzonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H18N4O2/c1-14-4-2-3-5-17(14)20-8-10-21(11-9-20)18-7-6-16(22(23)24)12-15(18)13-19/h2-7,12H,8-11H2,1H3