5-nitro-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]benzenecarbonitrile Openeye Name: 5-nitro-2-[(1-pyrimidin-2-yl-3-piperidyl)amino]benzonitrile CAS Name: 5-nitro-2-[[1-(2-pyrimidinyl)-3-piperidinyl]amino]benzonitrile IUPAC Name: 5-nitro-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]benzonitrile Traditional Name: 5-nitro-2-[[1-(2-pyrimidyl)-3-piperidyl]amino]benzonitrile Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H16N6O2/c17-10-12-9-14(22(23)24)4-5-15(12)20-13-3-1-8-21(11-13)16-18-6-2-7-19-16/h2,4-7,9,13,20H,1,3,8,11H2