4-oxidanylidene-3-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-(propylcarbamoylamino)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-(propylcarbamoylamino)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(propylcarbamoylamino)ethyl]phthalazine-1-carboxylate Formula: C15H15N4O5- MolecularWeight: 331.3034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CCCNC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

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