3-[4-(2-ethylbutoxy)-3-(1H-indol-5-yl)-5-nitro-phenyl]propanoate

Systemtic Name: 3-[4-(2-ethylbutoxy)-3-(1H-indol-5-yl)-5-nitro-phenyl]propanoate Openeye Name: 3-[4-(2-ethylbutoxy)-3-(1H-indol-5-yl)-5-nitro-phenyl]propanoate CAS Name: 3-[4-(2-ethylbutoxy)-3-(1H-indol-5-yl)-5-nitrophenyl]propanoate IUPAC Name: 3-[4-(2-ethylbutoxy)-3-(1H-indol-5-yl)-5-nitrophenyl]propanoate Traditional Name: 3-[4-(2-ethylbutoxy)-3-(1H-indol-5-yl)-5-nitro-phenyl]propionate Formula: C23H25N2O5- MolecularWeight: 409.455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC1=C(C=C(C=C1C2=CC3=C(C=C2)NC=C3)CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CC)COC1=C(C=C(C=C1C2=CC3=C(C=C2)NC=C3)CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-3-15(4-2)14-30-23-19(17-6-7-20-18(13-17)9-10-24-20)11-16(5-8-22(26)27)12-21(23)25(28)29/h6-7,9-13,15,24H,3-5,8,14H2,1-2H3,(H,26,27)/p-1