(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C18H18N2O5/c1-3-23-9-14-12-6-4-5-7-16(12)25-17(14)18(22)24-10-15(21)13(8-19)11(2)20/h4-7,13,20H,3,9-10H2,1-2H3