(3,3-dimethyl-2-oxidanylidene-butyl) 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H18ClNO6 MolecularWeight: 391.80232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClNO6/c1-19(2,3)17(22)11-26-18(23)12-4-7-14(8-5-12)27-16-9-6-13(20)10-15(16)21(24)25/h4-10H,11H2,1-3H3