3-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]propanoate

Systemtic Name: 3-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]propanoate Openeye Name: 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]propanoate IUPAC Name: 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoate Traditional Name: 3-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]propionate Formula: C12H11N4O4- MolecularWeight: 275.24014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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