4-[1-(4-nitrophenyl)ethyl-pyrimidin-2-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[1-(4-nitrophenyl)ethyl-pyrimidin-2-yl-amino]benzenecarbonitrile Openeye Name: 4-[1-(4-nitrophenyl)ethyl-pyrimidin-2-yl-amino]benzonitrile CAS Name: 4-[1-(4-nitrophenyl)ethyl-(2-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[1-(4-nitrophenyl)ethyl-pyrimidin-2-ylamino]benzonitrile Traditional Name: 4-[1-(4-nitrophenyl)ethyl-(2-pyrimidyl)amino]benzonitrile Formula: C19H15N5O2 MolecularWeight: 345.3547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])N(C2=CC=C(C=C2)C#N)C3=NC=CC=N3

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])N(C2=CC=C(C=C2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C19H15N5O2/c1-14(16-5-9-18(10-6-16)24(25)26)23(19-21-11-2-12-22-19)17-7-3-15(13-20)4-8-17/h2-12,14H,1H3