3-[(1-cyanoindolizin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(1-cyanoindolizin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1-cyanoindolizin-2-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(1-cyano-2-indolizinyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(1-cyanoindolizin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(1-cyanoindolizin-2-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H12N4O3 MolecularWeight: 344.32358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CN4C=CC=CC4=C3C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CN4C=CC=CC4=C3C#N)C(=O)O

InChI

InChI=1S/C19H12N4O3/c20-9-15-12(10-22-8-4-3-7-16(15)22)11-23-18(24)14-6-2-1-5-13(14)17(21-23)19(25)26/h1-8,10H,11H2,(H,25,26)