2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)OC)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[C@H](C[N+](=O)[O-])C2=CC=C(C=C2)OC)O)C

InChI

InChI=1S/C17H21NO5/c1-17(2)8-14(19)16(15(20)9-17)13(10-18(21)22)11-4-6-12(23-3)7-5-11/h4-7,13,19H,8-10H2,1-3H3/t13-/m1/s1