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

Systemtic Name: 3-[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C15H15N4O5- MolecularWeight: 331.3034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O5/c1-3-16-15(24)17-12(20)8(2)19-13(21)10-7-5-4-6-9(10)11(18-19)14(22)23/h4-8H,3H2,1-2H3,(H,22,23)(H2,16,17,20,24)/p-1/t8-/m0/s1