4-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoate

Systemtic Name: 4-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoate CAS Name: 4-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)propanoyl]amino]butyrate Formula: C14H15N4O4- MolecularWeight: 303.2933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

C[C@@H](C(=O)NCCCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H16N4O4/c1-9(13(21)15-8-4-7-12(19)20)18-14(22)10-5-2-3-6-11(10)16-17-18/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,21)(H,19,20)/p-1/t9-/m0/s1