(7-nitroquinolin-8-yl) 3-butoxybenzoate

Systemtic Name: (7-nitroquinolin-8-yl) 3-butoxybenzoate Openeye Name: (7-nitro-8-quinolyl) 3-butoxybenzoate CAS Name: 3-butoxybenzoic acid (7-nitro-8-quinolinyl) ester IUPAC Name: (7-nitroquinolin-8-yl) 3-butoxybenzoate Traditional Name: 3-butoxybenzoic acid (7-nitro-8-quinolyl) ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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