ethyl (1R,2R,3S,4R)-1-ethanoyl-4-methyl-3-nitro-4-oxidanyl-2-[(E)-2-phenylethenyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2R,3S,4R)-1-ethanoyl-4-methyl-3-nitro-4-oxidanyl-2-[(E)-2-phenylethenyl]cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-3-nitro-2-[(E)-styryl]cyclohexanecarboxylate CAS Name: (1R,2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-3-nitro-2-[(E)-2-phenylethenyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-3-nitro-2-[(E)-2-phenylethenyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-3-nitro-2-[(E)-styryl]cyclohexanecarboxylic acid ethyl ester Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C(C1C=CC2=CC=CC=C2)[N+](=O)[O-])(C)O)C(=O)C

Isomeric SMILES

CCOC(=O)[C@@]1(CC[C@@]([C@H]([C@@H]1/C=C/C2=CC=CC=C2)[N+](=O)[O-])(C)O)C(=O)C

InChI

InChI=1S/C20H25NO6/c1-4-27-18(23)20(14(2)22)13-12-19(3,24)17(21(25)26)16(20)11-10-15-8-6-5-7-9-15/h5-11,16-17,24H,4,12-13H2,1-3H3/b11-10+/t16-,17-,19+,20-/m0/s1