methyl (2S)-3-methyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4/c1-9(2)13(15(22)23-3)16-12(20)8-19-14(21)10-6-4-5-7-11(10)17-18-19/h4-7,9,13H,8H2,1-3H3,(H,16,20)/t13-/m0/s1