[(1S,5S)-5-acetyloxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] 4-nitrobenzoate

Systemtic Name: [(1S,5S)-5-acetyloxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] 4-nitrobenzoate Openeye Name: [(1S,5S)-5-acetoxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,5S)-5-acetyloxy-3-ethynyl-2-methyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,5S)-5-acetyloxy-3-ethynyl-2-methylcyclohex-2-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,5S)-5-acetoxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)C#C

Isomeric SMILES

CC1=C(C[C@@H](C[C@@H]1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)C#C

InChI

InChI=1S/C18H17NO6/c1-4-13-9-16(24-12(3)20)10-17(11(13)2)25-18(21)14-5-7-15(8-6-14)19(22)23/h1,5-8,16-17H,9-10H2,2-3H3/t16-,17-/m0/s1