(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-acetamidophenyl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-acetamidophenyl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-acetamidophenyl)acetate CAS Name: 2-(4-acetamidophenyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-acetamidophenyl)acetate Traditional Name: 2-(4-acetamidophenyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H18N2O7/c1-12(22)20-16-4-2-13(3-5-16)6-18(23)27-10-15-8-17(21(24)25)7-14-9-26-11-28-19(14)15/h2-5,7-8H,6,9-11H2,1H3,(H,20,22)