3-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(2E)-2-(nitromethylene)-4,5-dihydropyrimidin-3-yl]methyl]benzonitrile CAS Name: 3-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]benzonitrile IUPAC Name: 3-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]benzonitrile Traditional Name: 3-[[(2E)-2-(nitromethylene)-4,5-dihydropyrimidin-3-yl]methyl]benzonitrile Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=C[N+](=O)[O-])N=C1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(/C(=C\[N+](=O)[O-])/N=C1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H12N4O2/c14-8-11-3-1-4-12(7-11)9-16-6-2-5-15-13(16)10-17(18)19/h1,3-5,7,10H,2,6,9H2/b13-10-