3-(2-cyanoethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-(2-cyanoethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-(2-cyanoethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-cyanoethyl)-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-(2-cyanoethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-cyanoethyl)-4-keto-phthalazine-1-carboxylate Formula: C12H8N3O3- MolecularWeight: 242.21022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC#N)C(=O)[O-]

InChI

InChI=1S/C12H9N3O3/c13-6-3-7-15-11(16)9-5-2-1-4-8(9)10(14-15)12(17)18/h1-2,4-5H,3,7H2,(H,17,18)/p-1