phenyl 4-chloranyl-3-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate

Systemtic Name: phenyl 4-chloranyl-3-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate Openeye Name: phenyl 4-chloro-3-[(2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]benzoate CAS Name: 4-chloro-3-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]benzoic acid phenyl ester IUPAC Name: phenyl 4-chloro-3-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]benzoate Traditional Name: 4-chloro-3-[(2-chloro-3-keto-4,4-dimethyl-pentanoyl)amino]benzoic acid phenyl ester Formula: C20H19Cl2NO4 MolecularWeight: 408.27516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO4/c1-20(2,3)17(24)16(22)18(25)23-15-11-12(9-10-14(15)21)19(26)27-13-7-5-4-6-8-13/h4-11,16H,1-3H3,(H,23,25)