3-(1-cyanoethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(1-cyanoethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(1-cyanoethyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(1-cyanoethyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(1-cyanoethyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(1-cyanoethyl)-4-keto-phthalazine-1-carboxylic acid Formula: C12H9N3O3 MolecularWeight: 243.21816

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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

CC(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)