(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H14N4O4/c1-9(18)12(7-17)14(21)8-24-15(22)6-13-10-4-2-3-5-11(10)16(23)20-19-13/h2-5,12,18H,6,8H2,1H3,(H,20,23)