methyl 2-[[2-(3,3-dimethylbut-1-ynyl)-4-nitro-phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 2-[[2-(3,3-dimethylbut-1-ynyl)-4-nitro-phenyl]carbonylamino]hexanoate Openeye Name: methyl 2-[[2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzoyl]amino]hexanoate CAS Name: 2-[[[2-(3,3-dimethylbut-1-ynyl)-4-nitrophenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,3-dimethylbut-1-ynyl)-4-nitrobenzoyl]amino]hexanoate Traditional Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzoyl]amino]hexanoic acid methyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C#CC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C#CC(C)(C)C

InChI

InChI=1S/C20H26N2O5/c1-6-7-8-17(19(24)27-5)21-18(23)16-10-9-15(22(25)26)13-14(16)11-12-20(2,3)4/h9-10,13,17H,6-8H2,1-5H3,(H,21,23)