N,N-diethylethanamine; 1-oxidanylidene-3H-2-benzofuran-5-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 1-oxidanylidene-3H-2-benzofuran-5-carboxylic acid Openeye Name: N,N-diethylethanamine; 1-oxo-3H-isobenzofuran-5-carboxylic acid CAS Name: N,N-diethylethanamine; 1-oxo-3H-isobenzofuran-5-carboxylic acid IUPAC Name: N,N-diethylethanamine; 1-oxo-3H-2-benzofuran-5-carboxylic acid Traditional Name: 1-ketophthalan-5-carboxylic acid; triethylamine Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1

Isomeric SMILES

CCN(CC)CC.C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1

InChI

InChI=1S/C9H6O4.C6H15N/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12;1-4-7(5-2)6-3/h1-3H,4H2,(H,10,11);4-6H2,1-3H3