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

Systemtic Name: 4-[[6-(4-ethynyl-2,6-dimethyl-phenoxy)-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-(4-ethynyl-2,6-dimethyl-phenoxy)-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[6-(4-ethynyl-2,6-dimethylphenoxy)-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[6-(4-ethynyl-2,6-dimethylphenoxy)-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-(4-ethynyl-2,6-dimethyl-phenoxy)-3-nitro-2-pyridyl]amino]benzonitrile Formula: C22H16N4O3 MolecularWeight: 384.38744

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O3/c1-4-16-11-14(2)21(15(3)12-16)29-20-10-9-19(26(27)28)22(25-20)24-18-7-5-17(13-23)6-8-18/h1,5-12H,2-3H3,(H,24,25)