(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (1-ethoxycarbonyl-3-methyl-butyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (1-ethoxy-4-methyl-1-oxopentan-2-yl) ester IUPAC Name: (1-ethoxy-4-methyl-1-oxopentan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (1-carbethoxy-3-methyl-butyl) ester Formula: C22H21ClF3NO7 MolecularWeight: 503.85285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC(C)C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClF3NO7/c1-4-32-21(29)19(9-12(2)3)34-20(28)15-11-14(6-7-17(15)27(30)31)33-18-8-5-13(10-16(18)23)22(24,25)26/h5-8,10-12,19H,4,9H2,1-3H3