2,6-bis(azanyl)hexanoic acid; 2-oxidanylcyclohepta-2,4,6-trien-1-one

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 2-oxidanylcyclohepta-2,4,6-trien-1-one Openeye Name: 2,6-diaminohexanoic acid; 2-hydroxycyclohepta-2,4,6-trien-1-one CAS Name: 2,6-diaminohexanoic acid; 2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 2,6-diaminohexanoic acid; 2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 2,6-diaminohexanoic acid; 2-hydroxycyclohepta-2,4,6-trien-1-one Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C(=O)C=C1)O.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C7H6O2.C6H14N2O2/c8-6-4-2-1-3-5-7(6)9;7-4-2-1-3-5(8)6(9)10/h1-5H,(H,8,9);5H,1-4,7-8H2,(H,9,10)