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

Systemtic Name: 2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]ethanamide Openeye Name: 2-[2-nitro-4-(1,1,3,3-tetramethylbutyl)phenoxy]-N-[(E)-2-thienylmethyleneamino]acetamide CAS Name: 2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide IUPAC Name: 2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide Traditional Name: 2-[2-nitro-4-(1,1,3,3-tetramethylbutyl)phenoxy]-N-[(E)-2-thenylideneamino]acetamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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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=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N/N=C/C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4S/c1-20(2,3)14-21(4,5)15-8-9-18(17(11-15)24(26)27)28-13-19(25)23-22-12-16-7-6-10-29-16/h6-12H,13-14H2,1-5H3,(H,23,25)/b22-12+