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

Systemtic Name: 7-(3,4-dimethoxyphenyl)-6-nitro-1-phenyl-heptan-3-one Openeye Name: 7-(3,4-dimethoxyphenyl)-6-nitro-1-phenyl-heptan-3-one CAS Name: 7-(3,4-dimethoxyphenyl)-6-nitro-1-phenyl-3-heptanone IUPAC Name: 7-(3,4-dimethoxyphenyl)-6-nitro-1-phenylheptan-3-one Traditional Name: 7-(3,4-dimethoxyphenyl)-6-nitro-1-phenyl-heptan-3-one Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-26-20-13-9-17(15-21(20)27-2)14-18(22(24)25)10-12-19(23)11-8-16-6-4-3-5-7-16/h3-7,9,13,15,18H,8,10-12,14H2,1-2H3