butyl 2-[[1,6,7-tris(chloranyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoate

Systemtic Name: butyl 2-[[1,6,7-tris(chloranyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoate Openeye Name: butyl 2-[(1,6,7-trichloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetate CAS Name: 2-[[oxo-(1,6,7-trichloro-4-hydroxy-3-isoquinolinyl)methyl]amino]acetic acid butyl ester IUPAC Name: butyl 2-[(1,6,7-trichloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[(1,6,7-trichloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid butyl ester Formula: C16H15Cl3N2O4 MolecularWeight: 405.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CNC(=O)C1=C(C2=CC(=C(C=C2C(=N1)Cl)Cl)Cl)O

Isomeric SMILES

CCCCOC(=O)CNC(=O)C1=C(C2=CC(=C(C=C2C(=N1)Cl)Cl)Cl)O

InChI

InChI=1S/C16H15Cl3N2O4/c1-2-3-4-25-12(22)7-20-16(24)13-14(23)8-5-10(17)11(18)6-9(8)15(19)21-13/h5-6,23H,2-4,7H2,1H3,(H,20,24)