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

Systemtic Name: methyl 2-[[2-(3,3-dimethylbut-1-ynyl)-4-nitro-phenyl]carbonylamino]propanoate Openeye Name: methyl 2-[[2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzoyl]amino]propanoate CAS Name: 2-[[[2-(3,3-dimethylbut-1-ynyl)-4-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,3-dimethylbut-1-ynyl)-4-nitrobenzoyl]amino]propanoate Traditional Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzoyl]amino]propionic acid methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-11(16(21)24-5)18-15(20)14-7-6-13(19(22)23)10-12(14)8-9-17(2,3)4/h6-7,10-11H,1-5H3,(H,18,20)