2-[(2-methyl-2-piperidin-1-yl-propyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2-methyl-2-piperidin-1-yl-propyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[2-methyl-2-(1-piperidyl)propyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[2-methyl-2-(1-piperidinyl)propyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(2-methyl-2-piperidino-propyl)amino]-5-nitro-benzonitrile Formula: C16H22N4O2 MolecularWeight: 302.37148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)N2CCCCC2

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)N2CCCCC2

InChI

InChI=1S/C16H22N4O2/c1-16(2,19-8-4-3-5-9-19)12-18-15-7-6-14(20(21)22)10-13(15)11-17/h6-7,10,18H,3-5,8-9,12H2,1-2H3