(3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClNO6/c1-20(2,3)17(23)11-28-19(25)14-7-5-4-6-13(14)18(24)12-8-9-15(21)16(10-12)22(26)27/h4-10H,11H2,1-3H3