4-[[6-[4-(2-cyclopropylethynyl)-2,6-dimethyl-phenoxy]-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-[4-(2-cyclopropylethynyl)-2,6-dimethyl-phenoxy]-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-(2-cyclopropylethynyl)-2,6-dimethyl-phenoxy]-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[6-[4-(2-cyclopropylethynyl)-2,6-dimethylphenoxy]-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[6-[4-(2-cyclopropylethynyl)-2,6-dimethylphenoxy]-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-(2-cyclopropylethynyl)-2,6-dimethyl-phenoxy]-3-nitro-2-pyridyl]amino]benzonitrile Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C)C#CC4CC4

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C)C#CC4CC4

InChI

InChI=1S/C25H20N4O3/c1-16-13-20(6-5-18-3-4-18)14-17(2)24(16)32-23-12-11-22(29(30)31)25(28-23)27-21-9-7-19(15-26)8-10-21/h7-14,18H,3-4H2,1-2H3,(H,27,28)