1-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoyl]isonipecotic acid Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H20N4O4/c22-15(20-10-7-12(8-11-20)17(24)25)6-3-9-21-16(23)13-4-1-2-5-14(13)18-19-21/h1-2,4-5,12H,3,6-11H2,(H,24,25)