[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

InChI

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