[(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate

Systemtic Name: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [(2Z)-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(2Z)-3-keto-2-(3-nitrobenzylidene)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(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/O3

InChI

InChI=1S/C26H21NO6/c1-26(2,3)18-9-7-17(8-10-18)25(29)32-20-11-12-21-22(15-20)33-23(24(21)28)14-16-5-4-6-19(13-16)27(30)31/h4-15H,1-3H3/b23-14-