2-[7-chloranyl-1-(4-iodanylbutyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate

Systemtic Name: 2-[7-chloranyl-1-(4-iodanylbutyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate Openeye Name: 2-[7-chloro-1-(4-iodobutyl)-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate CAS Name: 2-[7-chloro-1-(4-iodobutyl)-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate IUPAC Name: 2-[7-chloro-1-(4-iodobutyl)-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate Traditional Name: 2-[7-chloro-1-(4-iodobutyl)-2-keto-5-(1-naphthyl)-5H-4,1-benzoxazepin-3-yl]acetate Formula: C25H22ClINO4- MolecularWeight: 562.80395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3C4=C(C=CC(=C4)Cl)N(C(=O)C(O3)CC(=O)[O-])CCCCI

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3C4=C(C=CC(=C4)Cl)N(C(=O)C(O3)CC(=O)[O-])CCCCI

InChI

InChI=1S/C25H23ClINO4/c26-17-10-11-21-20(14-17)24(19-9-5-7-16-6-1-2-8-18(16)19)32-22(15-23(29)30)25(31)28(21)13-4-3-12-27/h1-2,5-11,14,22,24H,3-4,12-13,15H2,(H,29,30)/p-1