ethyl (E)-5-ethoxy-2,2-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-3-oxidanylidene-pent-4-enoate

Systemtic Name: ethyl (E)-5-ethoxy-2,2-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-3-oxidanylidene-pent-4-enoate Openeye Name: ethyl (E)-5-ethoxy-2,2-dimethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-3-oxo-pent-4-enoate CAS Name: (E)-5-ethoxy-2,2-dimethyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-ethoxy-2,2-dimethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-3-oxopent-4-enoate Traditional Name: (E)-5-ethoxy-3-keto-2,2-dimethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]pent-4-enoic acid ethyl ester Formula: C19H20F3NO7 MolecularWeight: 431.35981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO/C=C(\C(=O)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])/C(=O)C(C)(C)C(=O)OCC

InChI

InChI=1S/C19H20F3NO7/c1-5-29-10-13(16(25)18(3,4)17(26)30-6-2)15(24)12-8-7-11(19(20,21)22)9-14(12)23(27)28/h7-10H,5-6H2,1-4H3/b13-10+