3-[(4-cyanophenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(4-cyanophenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-cyanophenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-cyanophenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-cyanophenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(4-cyanobenzyl)-4-keto-phthalazine-1-carboxylic acid Formula: C17H11N3O3 MolecularWeight: 305.28754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O3/c18-9-11-5-7-12(8-6-11)10-20-16(21)14-4-2-1-3-13(14)15(19-20)17(22)23/h1-8H,10H2,(H,22,23)