(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C20H20BrClN2O7 MolecularWeight: 515.739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C20H20BrClN2O7/c1-3-29-17-8-13(14(21)9-18(17)30-4-2)11-31-19(25)10-23-20(26)12-5-6-15(22)16(7-12)24(27)28/h5-9H,3-4,10-11H2,1-2H3,(H,23,26)