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

Systemtic Name: 4-oxidanylidene-3-[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]phthalazine-1-carboxylic acid Traditional Name: 3-[2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C16H18N4O5 MolecularWeight: 346.33792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C16H18N4O5/c1-8(2)17-16(25)18-13(21)9(3)20-14(22)11-7-5-4-6-10(11)12(19-20)15(23)24/h4-9H,1-3H3,(H,23,24)(H2,17,18,21,25)