1-[5-(diethylamino)-1-oxidanyl-cyclohexa-2,4-dien-1-yl]carbonylcyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-[5-(diethylamino)-1-oxidanyl-cyclohexa-2,4-dien-1-yl]carbonylcyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-[5-(diethylamino)-1-hydroxy-cyclohexa-2,4-diene-1-carbonyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-[[5-(diethylamino)-1-hydroxy-1-cyclohexa-2,4-dienyl]-oxomethyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-[5-(diethylamino)-1-hydroxycyclohexa-2,4-diene-1-carbonyl]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-[5-(diethylamino)-1-hydroxy-cyclohexa-2,4-diene-1-carbonyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C18H23NO4 MolecularWeight: 317.37952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC(C1)(C(=O)C2(CC=CC=C2)C(=O)O)O

Isomeric SMILES

CCN(CC)C1=CC=CC(C1)(C(=O)C2(CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C18H23NO4/c1-3-19(4-2)14-9-8-12-18(23,13-14)15(20)17(16(21)22)10-6-5-7-11-17/h5-10,12,23H,3-4,11,13H2,1-2H3,(H,21,22)