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

Systemtic Name: 4-[[6-(4-bromanyl-2,6-dimethyl-phenoxy)-3-nitro-pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-(4-bromo-2,6-dimethyl-phenoxy)-3-nitro-2-pyridyl]amino]benzonitrile CAS Name: 4-[[6-(4-bromo-2,6-dimethylphenoxy)-3-nitro-2-pyridinyl]amino]benzonitrile IUPAC Name: 4-[[6-(4-bromo-2,6-dimethylphenoxy)-3-nitropyridin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-(4-bromo-2,6-dimethyl-phenoxy)-3-nitro-2-pyridyl]amino]benzonitrile Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O3/c1-12-9-15(21)10-13(2)19(12)28-18-8-7-17(25(26)27)20(24-18)23-16-5-3-14(11-22)4-6-16/h3-10H,1-2H3,(H,23,24)