ethyl 2-[4-(3-chloranyl-5-nitro-isoquinolin-1-yl)oxyphenoxy]ethanoate

Systemtic Name: ethyl 2-[4-(3-chloranyl-5-nitro-isoquinolin-1-yl)oxyphenoxy]ethanoate Openeye Name: ethyl 2-[4-[(3-chloro-5-nitro-1-isoquinolyl)oxy]phenoxy]acetate CAS Name: 2-[4-[(3-chloro-5-nitro-1-isoquinolinyl)oxy]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chloro-5-nitroisoquinolin-1-yl)oxyphenoxy]acetate Traditional Name: 2-[4-[(3-chloro-5-nitro-1-isoquinolyl)oxy]phenoxy]acetic acid ethyl ester Formula: C19H15ClN2O6 MolecularWeight: 402.7852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)OC2=C3C=CC=C(C3=CC(=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)OC2=C3C=CC=C(C3=CC(=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN2O6/c1-2-26-18(23)11-27-12-6-8-13(9-7-12)28-19-14-4-3-5-16(22(24)25)15(14)10-17(20)21-19/h3-10H,2,11H2,1H3