2-[7-chloranyl-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-(7-chloro-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl)acetic acid Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(COC(C1=O)CC(=O)O)C=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)CN1C2=C(COC(C1=O)CC(=O)O)C=C(C=C2)Cl

InChI

InChI=1S/C16H20ClNO4/c1-16(2,3)9-18-12-5-4-11(17)6-10(12)8-22-13(15(18)21)7-14(19)20/h4-6,13H,7-9H2,1-3H3,(H,19,20)