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

Systemtic Name: 4-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]cyclohexanecarboxylic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H22N4O4/c1-11(22-17(24)14-4-2-3-5-15(14)20-21-22)16(23)19-10-12-6-8-13(9-7-12)18(25)26/h2-5,11-13H,6-10H2,1H3,(H,19,23)(H,25,26)