(7-nitroquinolin-8-yl) 4-butoxybenzoate

Systemtic Name: (7-nitroquinolin-8-yl) 4-butoxybenzoate Openeye Name: (7-nitro-8-quinolyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (7-nitro-8-quinolinyl) ester IUPAC Name: (7-nitroquinolin-8-yl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (7-nitro-8-quinolyl) ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

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