[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

C[C@@H](C(=O)NC(=O)N)OC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C14H14N4O5/c1-7(12(20)16-14(15)22)23-11(19)6-10-8-4-2-3-5-9(8)13(21)18-17-10/h2-5,7H,6H2,1H3,(H,18,21)(H3,15,16,20,22)/t7-/m0/s1