3-[[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propionic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NCCC(=O)O

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NCCC(=O)O

InChI

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