methyl 6,6-bis(4-methoxyphenyl)-4-nitro-hexanoate

Systemtic Name: methyl 6,6-bis(4-methoxyphenyl)-4-nitro-hexanoate Openeye Name: methyl 6,6-bis(4-methoxyphenyl)-4-nitro-hexanoate CAS Name: 6,6-bis(4-methoxyphenyl)-4-nitrohexanoic acid methyl ester IUPAC Name: methyl 6,6-bis(4-methoxyphenyl)-4-nitrohexanoate Traditional Name: 6,6-bis(4-methoxyphenyl)-4-nitro-hexanoic acid methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-26-18-9-4-15(5-10-18)20(16-6-11-19(27-2)12-7-16)14-17(22(24)25)8-13-21(23)28-3/h4-7,9-12,17,20H,8,13-14H2,1-3H3