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

Systemtic Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzoate Openeye Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] benzoate CAS Name: benzoic acid [(2E)-7-methyl-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] benzoate Traditional Name: benzoic acid [(2E)-3-keto-7-methyl-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C26H19NO4 MolecularWeight: 409.43336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=CC3=CN(C4=CC=CC=C43)C)C2=O)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC2=C1O/C(=C/C3=CN(C4=CC=CC=C43)C)/C2=O)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19NO4/c1-16-22(31-26(29)17-8-4-3-5-9-17)13-12-20-24(28)23(30-25(16)20)14-18-15-27(2)21-11-7-6-10-19(18)21/h3-15H,1-2H3/b23-14+