ethyl 2-tert-butyl-5-(3-nitrophenyl)carbonyloxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-tert-butyl-5-(3-nitrophenyl)carbonyloxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-tert-butyl-5-(3-nitrobenzoyl)oxy-benzofuran-3-carboxylate CAS Name: 2-tert-butyl-5-[(3-nitrophenyl)-oxomethoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-5-(3-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate Traditional Name: 2-tert-butyl-5-(3-nitrobenzoyl)oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C22H21NO7/c1-5-28-21(25)18-16-12-15(9-10-17(16)30-19(18)22(2,3)4)29-20(24)13-7-6-8-14(11-13)23(26)27/h6-12H,5H2,1-4H3