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

Systemtic Name: methyl (Z)-4-cyclohexyl-3-nitro-2-oxidanyl-2-(trifluoromethyl)but-3-enoate Openeye Name: methyl (Z)-4-cyclohexyl-2-hydroxy-3-nitro-2-(trifluoromethyl)but-3-enoate CAS Name: (Z)-4-cyclohexyl-2-hydroxy-3-nitro-2-(trifluoromethyl)-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-cyclohexyl-2-hydroxy-3-nitro-2-(trifluoromethyl)but-3-enoate Traditional Name: (Z)-4-cyclohexyl-2-hydroxy-3-nitro-2-(trifluoromethyl)but-3-enoic acid methyl ester Formula: C12H16F3NO5 MolecularWeight: 311.25435

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=CC1CCCCC1)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

COC(=O)C(/C(=C/C1CCCCC1)/[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C12H16F3NO5/c1-21-10(17)11(18,12(13,14)15)9(16(19)20)7-8-5-3-2-4-6-8/h7-8,18H,2-6H2,1H3/b9-7-