[(Z)-1-(4-acetyloxy-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [(Z)-1-(4-acetyloxy-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl] 4-(trifluoromethyl)benzoate Openeye Name: [(Z)-1-(4-acetoxy-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [(Z)-1-(4-acetyloxy-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl] ester IUPAC Name: [(Z)-1-(4-acetyloxy-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [(Z)-1-(4-acetoxy-2-nitro-phenyl)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl] ester Formula: C24H19F3N2O7 MolecularWeight: 504.41207

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)C(=C(C#N)C(=O)C(C)(C)C)OC(=O)C2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)/C(=C(\C#N)/C(=O)C(C)(C)C)/OC(=O)C2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H19F3N2O7/c1-13(30)35-16-9-10-17(19(11-16)29(33)34)20(18(12-28)21(31)23(2,3)4)36-22(32)14-5-7-15(8-6-14)24(25,26)27/h5-11H,1-4H3/b20-18-