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

Systemtic Name: 4-[[6-(2,6-dimethyl-4-prop-2-enyl-phenoxy)-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-(4-allyl-2,6-dimethyl-phenoxy)-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[6-(2,6-dimethyl-4-prop-2-enylphenoxy)-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[6-(2,6-dimethyl-4-prop-2-enylphenoxy)-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-(4-allyl-2,6-dimethyl-phenoxy)-3-nitro-2-pyridyl]amino]benzonitrile Formula: C23H20N4O3 MolecularWeight: 400.4299

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O3/c1-4-5-18-12-15(2)22(16(3)13-18)30-21-11-10-20(27(28)29)23(26-21)25-19-8-6-17(14-24)7-9-19/h4,6-13H,1,5H2,2-3H3,(H,25,26)