2-methylbut-3-yn-2-yl 4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methylbut-3-yn-2-yl 4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 1,1-dimethylprop-2-ynyl 4-(2-methylanilino)-4-oxo-butanoate CAS Name: 4-(2-methylanilino)-4-oxobutanoic acid 2-methylbut-3-yn-2-yl ester IUPAC Name: 2-methylbut-3-yn-2-yl 4-(2-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(o-toluidino)butyric acid 1,1-dimethylprop-2-ynyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(=O)OC(C)(C)C#C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC(=O)OC(C)(C)C#C

InChI

InChI=1S/C16H19NO3/c1-5-16(3,4)20-15(19)11-10-14(18)17-13-9-7-6-8-12(13)2/h1,6-9H,10-11H2,2-4H3,(H,17,18)