4-[2-[(4-cyanophenyl)amino]-5-nitro-pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[2-[(4-cyanophenyl)amino]-5-nitro-pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[2-(4-cyanoanilino)-5-nitro-pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[2-(4-cyanoanilino)-5-nitro-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[2-(4-cyanoanilino)-5-nitropyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[2-(4-cyanoanilino)-5-nitro-pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C20H14N6O3 MolecularWeight: 386.36356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C)C#N

InChI

InChI=1S/C20H14N6O3/c1-12-7-15(10-22)8-13(2)18(12)29-19-17(26(27)28)11-23-20(25-19)24-16-5-3-14(9-21)4-6-16/h3-8,11H,1-2H3,(H,23,24,25)