[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H16N4O4/c1-3-21-16(23)12-7-5-4-6-11(12)15(20-21)17(24)25-9-14(22)13(8-18)10(2)19/h4-7,13,19H,3,9H2,1-2H3/t13-/m1/s1