(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H15BrN2O7 MolecularWeight: 451.2249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN2O7/c19-14-8-16-15(26-4-5-27-16)7-12(14)10-28-17(22)9-20-18(23)11-2-1-3-13(6-11)21(24)25/h1-3,6-8H,4-5,9-10H2,(H,20,23)