3-[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1R)-1-methyl-2-oxo-2-ureido-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[(1R)-2-keto-1-methyl-2-ureido-ethyl]phthalazine-1-carboxylate Formula: C13H11N4O5- MolecularWeight: 303.25024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-6(10(18)15-13(14)22)17-11(19)8-5-3-2-4-7(8)9(16-17)12(20)21/h2-6H,1H3,(H,20,21)(H3,14,15,18,22)/p-1/t6-/m1/s1