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

Systemtic Name: 1-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-6-nitro-heptan-3-one Openeye Name: 1-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-6-nitro-heptan-3-one CAS Name: 1-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-6-nitro-3-heptanone IUPAC Name: 1-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-6-nitroheptan-3-one Traditional Name: 1-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-6-nitro-heptan-3-one Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(CCC(=O)CCC2=CC=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(CCC(=O)CCC2=CC=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24ClNO5/c1-27-20-12-6-16(14-21(20)28-2)13-18(23(25)26)9-11-19(24)10-5-15-3-7-17(22)8-4-15/h3-4,6-8,12,14,18H,5,9-11,13H2,1-2H3