2-(3-azido-1-tert-butyl-7-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(3-azido-1-tert-butyl-7-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(3-azido-1-tert-butyl-7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid CAS Name: 2-(3-azido-1-tert-butyl-7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid IUPAC Name: 2-(3-azido-1-tert-butyl-7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Traditional Name: 2-(3-azido-1-tert-butyl-7-chloro-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl)acetic acid Formula: C22H24ClN4O3+ MolecularWeight: 427.90396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3/c1-22(2,3)27(13-20(28)29)19-10-9-15(23)11-17(19)16(14-7-5-4-6-8-14)12-18(21(27)30)25-26-24/h4-11,16,18H,12-13H2,1-3H3/p+1