4-[[2-(3-nitrophenyl)-6-propan-2-yl-pyrimidin-4-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(3-nitrophenyl)-6-propan-2-yl-pyrimidin-4-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[6-isopropyl-2-(3-nitrophenyl)pyrimidin-4-yl]oxymethyl]benzonitrile CAS Name: 4-[[2-(3-nitrophenyl)-6-propan-2-yl-4-pyrimidinyl]oxymethyl]benzonitrile IUPAC Name: 4-[[2-(3-nitrophenyl)-6-propan-2-ylpyrimidin-4-yl]oxymethyl]benzonitrile Traditional Name: 4-[[6-isopropyl-2-(3-nitrophenyl)pyrimidin-4-yl]oxymethyl]benzonitrile Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N4O3/c1-14(2)19-11-20(28-13-16-8-6-15(12-22)7-9-16)24-21(23-19)17-4-3-5-18(10-17)25(26)27/h3-11,14H,13H2,1-2H3