[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O5/c1-7(2)11(13(21)17-15(16)23)24-14(22)10-8-5-3-4-6-9(8)12(20)19-18-10/h3-7,11H,1-2H3,(H,19,20)(H3,16,17,21,23)/t11-/m1/s1