3-chloranyl-5-(5,5-dimethyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-(5,5-dimethyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile Openeye Name: 3-chloro-5-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)benzonitrile CAS Name: 3-chloro-5-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)benzonitrile IUPAC Name: 3-chloro-5-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)benzonitrile Traditional Name: 3-chloro-5-(2-keto-5,5-dimethyl-1H-4,1-benzoxazepin-7-yl)benzonitrile Formula: C18H15ClN2O2 MolecularWeight: 326.7769

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)Cl)NC(=O)CO1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)Cl)NC(=O)CO1)C

InChI

InChI=1S/C18H15ClN2O2/c1-18(2)15-8-12(3-4-16(15)21-17(22)10-23-18)13-5-11(9-20)6-14(19)7-13/h3-8H,10H2,1-2H3,(H,21,22)