[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1)N

InChI

InChI=1S/C16H14N4O5/c1-9(18)12(6-17)13(21)8-25-14(22)7-20-16(24)11-5-3-2-4-10(11)15(23)19-20/h2-5,12H,1,7-8,18H2,(H,19,23)/t12-/m1/s1