butyl 4-(8-nitroisoquinolin-5-yl)oxybenzoate

Systemtic Name: butyl 4-(8-nitroisoquinolin-5-yl)oxybenzoate Openeye Name: butyl 4-[(8-nitro-5-isoquinolyl)oxy]benzoate CAS Name: 4-[(8-nitro-5-isoquinolinyl)oxy]benzoic acid butyl ester IUPAC Name: butyl 4-(8-nitroisoquinolin-5-yl)oxybenzoate Traditional Name: 4-[(8-nitro-5-isoquinolyl)oxy]benzoic acid butyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5/c1-2-3-12-26-20(23)14-4-6-15(7-5-14)27-19-9-8-18(22(24)25)17-13-21-11-10-16(17)19/h4-11,13H,2-3,12H2,1H3