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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-13(2)11-17(19(24)27-6)21-18(23)16-8-7-15(22(25)26)12-14(16)9-10-20(3,4)5/h7-8,12-13,17H,11H2,1-6H3,(H,21,23)