(8-ethoxyquinolin-4-yl) 3,5-dinitrobenzoate

Systemtic Name: (8-ethoxyquinolin-4-yl) 3,5-dinitrobenzoate Openeye Name: (8-ethoxy-4-quinolyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (8-ethoxy-4-quinolinyl) ester IUPAC Name: (8-ethoxyquinolin-4-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (8-ethoxy-4-quinolyl) ester Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C(C=CN=C21)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC2=C(C=CN=C21)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7/c1-2-27-16-5-3-4-14-15(6-7-19-17(14)16)28-18(22)11-8-12(20(23)24)10-13(9-11)21(25)26/h3-10H,2H2,1H3