2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]ethanoate

Systemtic Name: 2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]ethanoate Openeye Name: 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetate CAS Name: 2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]acetate IUPAC Name: 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetate Traditional Name: 2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]acetate Formula: C12H11N4O4- MolecularWeight: 275.24014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCC(=O)[O-]

InChI

InChI=1S/C12H12N4O4/c17-10(13-7-11(18)19)5-6-16-12(20)8-3-1-2-4-9(8)14-15-16/h1-4H,5-7H2,(H,13,17)(H,18,19)/p-1