methyl (2S)-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]propanoate

Systemtic Name: methyl (2S)-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]propanoate Openeye Name: methyl (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoate Traditional Name: (2S)-2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]propionic acid methyl ester Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4/c1-10(15(22)23-2)16-13(20)8-5-9-19-14(21)11-6-3-4-7-12(11)17-18-19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,20)/t10-/m0/s1