3-oxidanylidenebutyl 2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate

Systemtic Name: 3-oxidanylidenebutyl 2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate Openeye Name: 3-oxobutyl 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate CAS Name: 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoic acid 3-oxobutyl ester IUPAC Name: 3-oxobutyl 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate Traditional Name: 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoic acid 3-ketobutyl ester Formula: C18H13ClF3NO6 MolecularWeight: 431.74713

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCOC(=O)C1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(=O)CCOC(=O)C1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H13ClF3NO6/c1-10(24)8-9-28-17(25)15-13(18(20,21)22)6-7-14(16(15)19)29-12-4-2-11(3-5-12)23(26)27/h2-7H,8-9H2,1H3