(3-nitro-1-benzofuran-5-yl) 4-tert-butylbenzoate

Systemtic Name: (3-nitro-1-benzofuran-5-yl) 4-tert-butylbenzoate Openeye Name: (3-nitrobenzofuran-5-yl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (3-nitro-5-benzofuranyl) ester IUPAC Name: (3-nitro-1-benzofuran-5-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (3-nitrobenzofuran-5-yl) ester Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)OC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)OC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17NO5/c1-19(2,3)13-6-4-12(5-7-13)18(21)25-14-8-9-17-15(10-14)16(11-24-17)20(22)23/h4-11H,1-3H3