1,2-dimethoxybenzene; 2-[4-methylidene-1-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-ium-1-yl]propanoate

Systemtic Name: 1,2-dimethoxybenzene; 2-[4-methylidene-1-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-ium-1-yl]propanoate Openeye Name: 1,2-dimethoxybenzene; 2-(1-isobutyl-4-methylene-2,5-dioxo-imidazolidin-1-ium-1-yl)propanoate CAS Name: 1,2-dimethoxybenzene; 2-[4-methylene-1-(2-methylpropyl)-2,5-dioxo-1-imidazolidin-1-iumyl]propanoate IUPAC Name: 1,2-dimethoxybenzene; 2-[4-methylidene-1-(2-methylpropyl)-2,5-dioxoimidazolidin-1-ium-1-yl]propanoate Traditional Name: 2-(1-isobutyl-2,5-diketo-4-methylene-imidazolidin-1-ium-1-yl)propionate; veratrole Formula: C19H26N2O6 MolecularWeight: 378.41954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1(C(=O)C(=C)NC1=O)C(C)C(=O)[O-].COC1=CC=CC=C1OC

Isomeric SMILES

CC(C)C[N+]1(C(=O)C(=C)NC1=O)C(C)C(=O)[O-].COC1=CC=CC=C1OC

InChI

InChI=1S/C11H16N2O4.C8H10O2/c1-6(2)5-13(8(4)10(15)16)9(14)7(3)12-11(13)17;1-9-7-5-3-4-6-8(7)10-2/h6,8H,3,5H2,1-2,4H3,(H-,12,15,16,17);3-6H,1-2H3