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

Systemtic Name: 4-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]butanoate Openeye Name: 4-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]butanoate CAS Name: 4-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]butanoate IUPAC Name: 4-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]butanoate Traditional Name: 4-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]butyrate Formula: C15H17N4O4- MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4/c20-13(16-9-3-8-14(21)22)7-4-10-19-15(23)11-5-1-2-6-12(11)17-18-19/h1-2,5-6H,3-4,7-10H2,(H,16,20)(H,21,22)/p-1