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

Systemtic Name: 3-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]propanoate Openeye Name: 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoate CAS Name: 3-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]propanoate IUPAC Name: 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoate Traditional Name: 3-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]propionate Formula: C13H13N4O4- MolecularWeight: 289.26672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c18-11(14-7-5-12(19)20)6-8-17-13(21)9-3-1-2-4-10(9)15-16-17/h1-4H,5-8H2,(H,14,18)(H,19,20)/p-1