(2S,3R)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoate

Systemtic Name: (2S,3R)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoate Openeye Name: (2S,3R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoate CAS Name: (2S,3R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoate IUPAC Name: (2S,3R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoate Traditional Name: (2S,3R)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-valerate Formula: C13H14N3O3- MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-3-8(2)11(13(18)19)16-12(17)9-6-4-5-7-10(9)14-15-16/h4-8,11H,3H2,1-2H3,(H,18,19)/p-1/t8-,11+/m1/s1