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

Systemtic Name: 3-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1-methylpyrazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(1-methyl-4-pyrazolyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(1-methylpyrazol-4-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(1-methylpyrazol-4-yl)methyl]phthalazine-1-carboxylic acid Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C14H12N4O3/c1-17-7-9(6-15-17)8-18-13(19)11-5-3-2-4-10(11)12(16-18)14(20)21/h2-7H,8H2,1H3,(H,20,21)