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

Systemtic Name: 7-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-nitro-heptan-3-one Openeye Name: 7-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-nitro-heptan-3-one CAS Name: 7-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-nitro-3-heptanone IUPAC Name: 7-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-nitroheptan-3-one Traditional Name: 7-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-nitro-heptan-3-one Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)CCC(CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)CCC(CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO6/c1-27-20-11-5-16(6-12-20)4-9-19(24)10-8-18(23(25)26)14-17-7-13-21(28-2)22(15-17)29-3/h5-7,11-13,15,18H,4,8-10,14H2,1-3H3