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

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic 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] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H20N2O8 MolecularWeight: 428.3921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O8/c1-28-17-6-4-13(8-18(17)29-2)21(27)22-9-20(26)31-10-15(24)12-3-5-16-14(7-12)23-19(25)11-30-16/h3-8H,9-11H2,1-2H3,(H,22,27)(H,23,25)