3-(1H-benzimidazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(1H-benzimidazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(1H-benzimidazol-2-yl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(1H-benzimidazol-2-yl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(1H-benzimidazol-2-yl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(1H-benzimidazol-2-yl)-4-keto-phthalazine-1-carboxylic acid Formula: C16H10N4O3 MolecularWeight: 306.2756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C3=NC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C3=NC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C16H10N4O3/c21-14-10-6-2-1-5-9(10)13(15(22)23)19-20(14)16-17-11-7-3-4-8-12(11)18-16/h1-8H,(H,17,18)(H,22,23)