(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CC1=COC2=C1C=CC(=C2)O

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CC1=COC2=C1C=CC(=C2)O

InChI

InChI=1S/C16H14N2O5/c1-9(18)13(6-17)14(20)8-23-16(21)4-10-7-22-15-5-11(19)2-3-12(10)15/h2-3,5,7,13,18-19H,4,8H2,1H3