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

Systemtic Name: [(1R,5R)-3-ethynyl-2-methyl-5-oxidanyl-cyclohex-2-en-1-yl] 4-nitrobenzoate Openeye Name: [(1R,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,5R)-3-ethynyl-5-hydroxy-2-methyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5R)-3-ethynyl-5-hydroxy-2-methylcyclohex-2-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-en-1-yl] ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c1-3-11-8-14(18)9-15(10(11)2)22-16(19)12-4-6-13(7-5-12)17(20)21/h1,4-7,14-15,18H,8-9H2,2H3/t14-,15-/m1/s1