methyl (Z)-4-(4-dimethylaminophenyl)-3-nitro-2-oxidanyl-2-(trifluoromethyl)but-3-enoate

Systemtic Name: methyl (Z)-4-(4-dimethylaminophenyl)-3-nitro-2-oxidanyl-2-(trifluoromethyl)but-3-enoate Openeye Name: methyl (Z)-4-(4-dimethylaminophenyl)-2-hydroxy-3-nitro-2-(trifluoromethyl)but-3-enoate CAS Name: (Z)-4-(4-dimethylaminophenyl)-2-hydroxy-3-nitro-2-(trifluoromethyl)-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(4-dimethylaminophenyl)-2-hydroxy-3-nitro-2-(trifluoromethyl)but-3-enoate Traditional Name: (Z)-4-(4-dimethylaminophenyl)-2-hydroxy-3-nitro-2-(trifluoromethyl)but-3-enoic acid methyl ester Formula: C14H15F3N2O5 MolecularWeight: 348.27451

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C(C(=O)OC)(C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O5/c1-18(2)10-6-4-9(5-7-10)8-11(19(22)23)13(21,12(20)24-3)14(15,16)17/h4-8,21H,1-3H3/b11-8-