3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(2-imidazol-1-ylethyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(1-imidazolyl)ethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(2-imidazol-1-ylethyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(2-imidazol-1-ylethyl)-4-keto-phthalazine-1-carboxylic acid Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C(=O)O

InChI

InChI=1S/C14H12N4O3/c19-13-11-4-2-1-3-10(11)12(14(20)21)16-18(13)8-7-17-6-5-15-9-17/h1-6,9H,7-8H2,(H,20,21)