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

Systemtic Name: 3-[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]phthalazine-1-carboxylate Formula: C14H13N4O5- MolecularWeight: 317.27682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O5/c1-7(11(19)16-14(23)15-2)18-12(20)9-6-4-3-5-8(9)10(17-18)13(21)22/h3-7H,1-2H3,(H,21,22)(H2,15,16,19,23)/p-1/t7-/m1/s1