2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazino]-5-nitro-benzonitrile Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2/c1-13-2-3-15(19)11-18(13)22-8-6-21(7-9-22)17-5-4-16(23(24)25)10-14(17)12-20/h2-5,10-11H,6-9H2,1H3