[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C14H14N4O5/c1-7(11(19)16-14(22)15-2)23-13(21)10-8-5-3-4-6-9(8)12(20)18-17-10/h3-7H,1-2H3,(H,18,20)(H2,15,16,19,22)/t7-/m0/s1