(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4,5-trimethoxybenzoyl)amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H22N2O10 MolecularWeight: 462.40678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H22N2O10/c1-28-16-6-12(7-17(29-2)20(16)30-3)21(25)22-8-18(24)32-10-14-5-15(23(26)27)4-13-9-31-11-33-19(13)14/h4-7H,8-11H2,1-3H3,(H,22,25)