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

Systemtic Name: 3-[(2-cyanophenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(2-cyanophenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2-cyanophenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2-cyanophenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(2-cyanobenzyl)-4-keto-phthalazine-1-carboxylic acid Formula: C17H11N3O3 MolecularWeight: 305.28754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C#N

InChI

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