3-(cyanomethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-(cyanomethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-(cyanomethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(cyanomethyl)-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-(cyanomethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(cyanomethyl)-4-keto-phthalazine-1-carboxylate Formula: C11H6N3O3- MolecularWeight: 228.18364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N3O3/c12-5-6-14-10(15)8-4-2-1-3-7(8)9(13-14)11(16)17/h1-4H,6H2,(H,16,17)/p-1