4-oxidanylidene-3-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]phthalazine-1-carboxylic acid Traditional Name: 3-[2-(isopropylcarbamoylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CC(C)NC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C15H16N4O5/c1-8(2)16-15(24)17-11(20)7-19-13(21)10-6-4-3-5-9(10)12(18-19)14(22)23/h3-6,8H,7H2,1-2H3,(H,22,23)(H2,16,17,20,24)