2-[1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1-(4-methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[1-(4-methoxyphenyl)-2-nitroethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)OC)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/h4-7,13,16H,8-10H2,1-3H3