2-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]cyclohexan-1-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]cyclohexan-1-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]cyclohexanone CAS Name: 2-[2-(3,4-dimethoxyphenyl)-1-nitroethyl]-1-cyclohexanone IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1-nitroethyl]cyclohexan-1-one Traditional Name: 2-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]cyclohexanone Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C2CCCCC2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C2CCCCC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C16H21NO5/c1-21-15-8-7-11(10-16(15)22-2)9-13(17(19)20)12-5-3-4-6-14(12)18/h7-8,10,12-13H,3-6,9H2,1-2H3