3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzonitrile CAS Name: 3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzonitrile Traditional Name: 3-nitro-4-[4-(2-pyrimidyl)piperazino]benzonitrile Formula: C15H14N6O2 MolecularWeight: 310.31066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C15H14N6O2/c16-11-12-2-3-13(14(10-12)21(22)23)19-6-8-20(9-7-19)15-17-4-1-5-18-15/h1-5,10H,6-9H2