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

Systemtic Name: 4-[[3-azanyl-6-[4-(2-cyclopropylethynyl)-2,6-dimethyl-phenoxy]-4-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[3-amino-6-[4-(2-cyclopropylethynyl)-2,6-dimethyl-phenoxy]-4-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[3-amino-6-[4-(2-cyclopropylethynyl)-2,6-dimethylphenoxy]-4-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[3-amino-6-[4-(2-cyclopropylethynyl)-2,6-dimethylphenoxy]-4-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[3-amino-6-[4-(2-cyclopropylethynyl)-2,6-dimethyl-phenoxy]-4-nitro-2-pyridyl]amino]benzonitrile Formula: C25H21N5O3 MolecularWeight: 439.46594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O3/c1-15-11-19(6-5-17-3-4-17)12-16(2)24(15)33-22-13-21(30(31)32)23(27)25(29-22)28-20-9-7-18(14-26)8-10-20/h7-13,17H,3-4,27H2,1-2H3,(H,28,29)