methyl (2S)-3-oxidanyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[2-(4-ketocinnolin-1-yl)acetyl]amino]propionic acid methyl ester Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CN1C2=CC=CC=C2C(=O)C=N1

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CN1C2=CC=CC=C2C(=O)C=N1

InChI

InChI=1S/C14H15N3O5/c1-22-14(21)10(8-18)16-13(20)7-17-11-5-3-2-4-9(11)12(19)6-15-17/h2-6,10,18H,7-8H2,1H3,(H,16,20)/t10-/m0/s1