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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4/c19-12(15-8-3-6-13(20)21)7-9-18-14(22)10-4-1-2-5-11(10)16-17-18/h1-2,4-5H,3,6-9H2,(H,15,19)(H,20,21)/p-1