4-oxidanylidene-3-[(2R)-3-oxidanylidenebutan-2-yl]phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-[(2R)-3-oxidanylidenebutan-2-yl]phthalazine-1-carboxylate Openeye Name: 3-[(1R)-1-methyl-2-oxo-propyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-[(2R)-3-oxobutan-2-yl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[(2R)-3-oxobutan-2-yl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[(1R)-2-keto-1-methyl-propyl]phthalazine-1-carboxylate Formula: C13H11N2O4- MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C13H12N2O4/c1-7(8(2)16)15-12(17)10-6-4-3-5-9(10)11(14-15)13(18)19/h3-7H,1-2H3,(H,18,19)/p-1/t7-/m1/s1