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

Systemtic Name: 4-[[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]cyclohexanecarboxylate Formula: C18H21N4O4- MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CNC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

InChI

InChI=1S/C18H22N4O4/c23-16(19-11-12-5-7-13(8-6-12)18(25)26)9-10-22-17(24)14-3-1-2-4-15(14)20-21-22/h1-4,12-13H,5-11H2,(H,19,23)(H,25,26)/p-1