2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]ethanamide

Systemtic Name: 2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]ethanamide Openeye Name: 2-[2-nitro-4-(1,1,3,3-tetramethylbutyl)phenoxy]-N-[(E)-3-pyridylmethyleneamino]acetamide CAS Name: 2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-3-pyridinylmethylideneamino]acetamide IUPAC Name: 2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide Traditional Name: 2-[2-nitro-4-(1,1,3,3-tetramethylbutyl)phenoxy]-N-[(E)-3-pyridylmethyleneamino]acetamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NN=CC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N/N=C/C2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-21(2,3)15-22(4,5)17-8-9-19(18(11-17)26(28)29)30-14-20(27)25-24-13-16-7-6-10-23-12-16/h6-13H,14-15H2,1-5H3,(H,25,27)/b24-13+