[2-[(4-tert-butylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-nitrobenzoate

Systemtic Name: [2-[(4-tert-butylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-nitrobenzoate Openeye Name: [2-[(4-tert-butylphenyl)methylene]-3-oxo-benzofuran-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(4-tert-butylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(4-tert-butylbenzylidene)-3-keto-coumaran-6-yl] ester Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21NO6/c1-26(2,3)18-9-7-16(8-10-18)13-23-24(28)21-12-11-20(15-22(21)33-23)32-25(29)17-5-4-6-19(14-17)27(30)31/h4-15H,1-3H3