[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32)OC

InChI

InChI=1S/C21H21NO7/c1-26-18-8-7-14(11-19(18)27-2)16(23)12-29-21(25)9-10-22-15-5-3-4-6-17(15)28-13-20(22)24/h3-8,11H,9-10,12-13H2,1-2H3