3-[(4-cyano-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(4-cyano-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-cyano-2-fluoro-phenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-cyano-2-fluorophenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-cyano-2-fluorophenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(4-cyano-2-fluoro-benzyl)-4-keto-phthalazine-1-carboxylic acid Formula: C17H10FN3O3 MolecularWeight: 323.278003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)C#N)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)C#N)F)C(=O)O

InChI

InChI=1S/C17H10FN3O3/c18-14-7-10(8-19)5-6-11(14)9-21-16(22)13-4-2-1-3-12(13)15(20-21)17(23)24/h1-7H,9H2,(H,23,24)