(7-nitroquinolin-8-yl) 4-tert-butylbenzoate

Systemtic Name: (7-nitroquinolin-8-yl) 4-tert-butylbenzoate Openeye Name: (7-nitro-8-quinolyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (7-nitro-8-quinolinyl) ester IUPAC Name: (7-nitroquinolin-8-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (7-nitro-8-quinolyl) ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-20(2,3)15-9-6-14(7-10-15)19(23)26-18-16(22(24)25)11-8-13-5-4-12-21-17(13)18/h4-12H,1-3H3