[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H14N4O5 MolecularWeight: 330.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C15H14N4O5/c1-2-7-16-15(23)17-11(20)8-24-14(22)12-9-5-3-4-6-10(9)13(21)19-18-12/h2-6H,1,7-8H2,(H,19,21)(H2,16,17,20,23)