4-[[6-[2,6-dimethyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)phenoxy]-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-[2,6-dimethyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)phenoxy]-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-(3-hydroxy-3-methyl-but-1-ynyl)-2,6-dimethyl-phenoxy]-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[6-[4-(3-hydroxy-3-methylbut-1-ynyl)-2,6-dimethylphenoxy]-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[6-[4-(3-hydroxy-3-methylbut-1-ynyl)-2,6-dimethylphenoxy]-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-(3-hydroxy-3-methyl-but-1-ynyl)-2,6-dimethyl-phenoxy]-3-nitro-2-pyridyl]amino]benzonitrile Formula: C25H22N4O4 MolecularWeight: 442.46658

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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#CC(C)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4/c1-16-13-19(11-12-25(3,4)30)14-17(2)23(16)33-22-10-9-21(29(31)32)24(28-22)27-20-7-5-18(15-26)6-8-20/h5-10,13-14,30H,1-4H3,(H,27,28)