4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazine-1-carboxylic acid Openeye Name: 4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazine-1-carboxylic acid CAS Name: 4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazine-1-carboxylic acid Traditional Name: 4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazine-1-carboxylic acid Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=CC2=O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=CC2=O)C(=O)O

InChI

InChI=1S/C12H14N2O3/c15-11-5-3-1-2-4-10(11)13-6-8-14(9-7-13)12(16)17/h1-5H,6-9H2,(H,16,17)