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

Systemtic Name: ethyl 2-[4-(3-chloranyl-5-nitro-isoquinolin-1-yl)oxyphenoxy]propanoate Openeye Name: ethyl 2-[4-[(3-chloro-5-nitro-1-isoquinolyl)oxy]phenoxy]propanoate CAS Name: 2-[4-[(3-chloro-5-nitro-1-isoquinolinyl)oxy]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chloro-5-nitroisoquinolin-1-yl)oxyphenoxy]propanoate Traditional Name: 2-[4-[(3-chloro-5-nitro-1-isoquinolyl)oxy]phenoxy]propionic acid ethyl ester Formula: C20H17ClN2O6 MolecularWeight: 416.81178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C3C=CC=C(C3=CC(=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C3C=CC=C(C3=CC(=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN2O6/c1-3-27-20(24)12(2)28-13-7-9-14(10-8-13)29-19-15-5-4-6-17(23(25)26)16(15)11-18(21)22-19/h4-12H,3H2,1-2H3