(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O4/c1-12(19-18(26)20-13-7-3-2-4-8-13)17(25)27-11-23-16(24)14-9-5-6-10-15(14)21-22-23/h2-10,12H,11H2,1H3,(H2,19,20,26)/t12-/m0/s1