3-[[(2Z)-2-(nitromethylidene)-1,6-dihydropyrimidin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(2Z)-2-(nitromethylidene)-1,6-dihydropyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(2Z)-2-(nitromethylene)-1,6-dihydropyrimidin-3-yl]methyl]benzonitrile CAS Name: 3-[[(2Z)-2-(nitromethylidene)-1,6-dihydropyrimidin-3-yl]methyl]benzonitrile IUPAC Name: 3-[[(2Z)-2-(nitromethylidene)-1,6-dihydropyrimidin-3-yl]methyl]benzonitrile Traditional Name: 3-[[(2Z)-2-(nitromethylene)-1,6-dihydropyrimidin-3-yl]methyl]benzonitrile Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C(=C[N+](=O)[O-])N1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1C=CN(/C(=C\[N+](=O)[O-])/N1)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/h1-4,6-7,10,15H,5,9H2/b13-10-