2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 3-keto-2-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-cyclohexen-1-olate Formula: C17H20NO5- MolecularWeight: 318.3444

Click to see the large picture

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/p-1/t13-/m1/s1