3-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

InChI

InChI=1S/C16H15N5O4/c1-9-7-12(20(2)18-9)17-13(22)8-21-15(23)11-6-4-3-5-10(11)14(19-21)16(24)25/h3-7H,8H2,1-2H3,(H,17,22)(H,24,25)