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

Systemtic Name: methyl (Z)-4-(4-methoxyphenyl)-3-nitro-2-oxidanyl-2-(trifluoromethyl)but-3-enoate Openeye Name: methyl (Z)-2-hydroxy-4-(4-methoxyphenyl)-3-nitro-2-(trifluoromethyl)but-3-enoate CAS Name: (Z)-2-hydroxy-4-(4-methoxyphenyl)-3-nitro-2-(trifluoromethyl)-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-hydroxy-4-(4-methoxyphenyl)-3-nitro-2-(trifluoromethyl)but-3-enoate Traditional Name: (Z)-2-hydroxy-4-(4-methoxyphenyl)-3-nitro-2-(trifluoromethyl)but-3-enoic acid methyl ester Formula: C13H12F3NO6 MolecularWeight: 335.23269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(C(=O)OC)(C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(/C(C(=O)OC)(C(F)(F)F)O)\[N+](=O)[O-]

InChI

InChI=1S/C13H12F3NO6/c1-22-9-5-3-8(4-6-9)7-10(17(20)21)12(19,11(18)23-2)13(14,15)16/h3-7,19H,1-2H3/b10-7-