4-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]methyl]cyclohexanecarboxylate Formula: C17H19N4O4- MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

InChI

InChI=1S/C17H20N4O4/c22-15(18-9-11-5-7-12(8-6-11)17(24)25)10-21-16(23)13-3-1-2-4-14(13)19-20-21/h1-4,11-12H,5-10H2,(H,18,22)(H,24,25)/p-1