3-[(1S)-1-cyanoethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(1S)-1-cyanoethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1S)-1-cyanoethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(1S)-1-cyanoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(1S)-1-cyanoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(1S)-1-cyanoethyl]-4-keto-phthalazine-1-carboxylate Formula: C12H8N3O3- MolecularWeight: 242.21022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

C[C@@H](C#N)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C12H9N3O3/c1-7(6-13)15-11(16)9-5-3-2-4-8(9)10(14-15)12(17)18/h2-5,7H,1H3,(H,17,18)/p-1/t7-/m0/s1