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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate CAS Name: 2-[[(5-bromo-2-furanyl)-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-[(5-bromofuran-2-carbonyl)amino]acetate Traditional Name: 2-[(5-bromo-2-furoyl)amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H13BrN2O8 MolecularWeight: 441.18702

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CNC(=O)C3=CC=C(O3)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CNC(=O)C3=CC=C(O3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN2O8/c17-13-2-1-12(27-13)16(21)18-5-14(20)25-7-10-4-11(19(22)23)3-9-6-24-8-26-15(9)10/h1-4H,5-8H2,(H,18,21)