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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O5/c1-2-12-22-21(29)23-17(26)13-30-20(28)18-15-10-6-7-11-16(15)19(27)25(24-18)14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H2,22,23,26,29)