2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-benzonitrile Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C19H20N4O2/c1-14-4-3-5-18(15(14)2)21-8-10-22(11-9-21)19-7-6-17(23(24)25)12-16(19)13-20/h3-7,12H,8-11H2,1-2H3