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

Systemtic Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2,6-dimethyl-phenoxy]-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]-3-nitro-2-pyridyl]amino]benzonitrile Formula: C23H17N5O3 MolecularWeight: 411.41278

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C23H17N5O3/c1-15-12-18(4-3-11-24)13-16(2)22(15)31-21-10-9-20(28(29)30)23(27-21)26-19-7-5-17(14-25)6-8-19/h3-10,12-13H,1-2H3,(H,26,27)/b4-3+