[(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] benzoate

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] benzoate Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] benzoate CAS Name: benzoic acid [(2E)-2-[(1-ethyl-3-indolyl)methylidene]-7-methyl-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] benzoate Traditional Name: benzoic acid [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-keto-7-methyl-coumaran-6-yl] ester Formula: C27H21NO4 MolecularWeight: 423.45994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)OC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)OC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21NO4/c1-3-28-16-19(20-11-7-8-12-22(20)28)15-24-25(29)21-13-14-23(17(2)26(21)31-24)32-27(30)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3/b24-15+