7-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-nitro-heptan-3-one

Systemtic Name: 7-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-nitro-heptan-3-one Openeye Name: 7-(3,4-dimethoxyphenyl)-6-nitro-1-(p-tolyl)heptan-3-one CAS Name: 7-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-nitro-3-heptanone IUPAC Name: 7-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-nitroheptan-3-one Traditional Name: 7-(3,4-dimethoxyphenyl)-6-nitro-1-(p-tolyl)heptan-3-one Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)CCC(CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)CCC(CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO5/c1-16-4-6-17(7-5-16)8-11-20(24)12-10-19(23(25)26)14-18-9-13-21(27-2)22(15-18)28-3/h4-7,9,13,15,19H,8,10-12,14H2,1-3H3