6-azanyl-2-[[(1E)-1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[(1E)-1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[(1E)-1-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]hexanoic acid CAS Name: 6-amino-2-[[(1E)-1-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[(1E)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[(1E)-1-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]hexanoic acid Formula: C14H20N2O4 MolecularWeight: 280.3196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1O)NC(CCCCN)C(=O)O

Isomeric SMILES

C/C(=C\1/C=CC(=O)C=C1O)/NC(CCCCN)C(=O)O

InChI

InChI=1S/C14H20N2O4/c1-9(11-6-5-10(17)8-13(11)18)16-12(14(19)20)4-2-3-7-15/h5-6,8,12,16,18H,2-4,7,15H2,1H3,(H,19,20)/b11-9+