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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C17H16N2O4/c1-10-3-4-13-12(8-22-16(13)5-10)6-17(21)23-9-15(20)14(7-18)11(2)19/h3-5,8,14,19H,6,9H2,1-2H3