2-[3-azido-1-tert-butyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-azido-1-tert-butyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-azido-1-tert-butyl-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-azido-1-tert-butyl-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-azido-1-tert-butyl-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-azido-1-tert-butyl-5-(2-fluorophenyl)-2-keto-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Formula: C22H24FN4O3+ MolecularWeight: 411.449363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(C2=CC=CC=C2C(CC(C1=O)N=[N+]=[N-])C3=CC=CC=C3F)CC(=O)O

Isomeric SMILES

CC(C)(C)[N+]1(C2=CC=CC=C2C(CC(C1=O)N=[N+]=[N-])C3=CC=CC=C3F)CC(=O)O

InChI

InChI=1S/C22H23FN4O3/c1-22(2,3)27(13-20(28)29)19-11-7-5-9-15(19)16(12-18(21(27)30)25-26-24)14-8-4-6-10-17(14)23/h4-11,16,18H,12-13H2,1-3H3/p+1