[(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclopropanecarboxylate

Systemtic Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclopropanecarboxylate Openeye Name: [(2E)-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [(2E)-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [(2E)-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C22H17NO4 MolecularWeight: 359.37468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5CC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5CC5

InChI

InChI=1S/C22H17NO4/c1-23-12-14(16-4-2-3-5-18(16)23)10-20-21(24)17-9-8-15(11-19(17)27-20)26-22(25)13-6-7-13/h2-5,8-13H,6-7H2,1H3/b20-10+