ethyl 4-nitro-5-phenyl-3-(trifluoromethyl)pentanoate

Systemtic Name: ethyl 4-nitro-5-phenyl-3-(trifluoromethyl)pentanoate Openeye Name: ethyl 4-nitro-5-phenyl-3-(trifluoromethyl)pentanoate CAS Name: 4-nitro-5-phenyl-3-(trifluoromethyl)pentanoic acid ethyl ester IUPAC Name: ethyl 4-nitro-5-phenyl-3-(trifluoromethyl)pentanoate Traditional Name: 4-nitro-5-phenyl-3-(trifluoromethyl)valeric acid ethyl ester Formula: C14H16F3NO4 MolecularWeight: 319.27635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC1=CC=CC=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)CC(C(CC1=CC=CC=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H16F3NO4/c1-2-22-13(19)9-11(14(15,16)17)12(18(20)21)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3