(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCO

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCO

InChI

InChI=1S/C17H16N4O5/c1-10(19)13(8-18)14(23)9-26-17(25)15-11-4-2-3-5-12(11)16(24)21(20-15)6-7-22/h2-5,13,19,22H,6-7,9H2,1H3