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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]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-diethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H24N2O9 MolecularWeight: 460.43396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

InChI

InChI=1S/C22H24N2O9/c1-3-30-18-6-5-14(9-19(18)31-4-2)22(26)23-10-20(25)32-12-16-8-17(24(27)28)7-15-11-29-13-33-21(15)16/h5-9H,3-4,10-13H2,1-2H3,(H,23,26)