methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1-ethylindazol-5-yl)-5-nitro-phenyl]propanoate

Systemtic Name: methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1-ethylindazol-5-yl)-5-nitro-phenyl]propanoate Openeye Name: methyl 3-[3-(1-ethylindazol-5-yl)-4-indan-2-yloxy-5-nitro-phenyl]propanoate CAS Name: 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1-ethyl-5-indazolyl)-5-nitrophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1-ethylindazol-5-yl)-5-nitrophenyl]propanoate Traditional Name: 3-[3-(1-ethylindazol-5-yl)-4-indan-2-yloxy-5-nitro-phenyl]propionic acid methyl ester Formula: C28H27N3O5 MolecularWeight: 485.53108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC4CC5=CC=CC=C5C4)[N+](=O)[O-])CCC(=O)OC)C=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=CC(=CC(=C3OC4CC5=CC=CC=C5C4)[N+](=O)[O-])CCC(=O)OC)C=N1

InChI

InChI=1S/C28H27N3O5/c1-3-30-25-10-9-21(14-22(25)17-29-30)24-12-18(8-11-27(32)35-2)13-26(31(33)34)28(24)36-23-15-19-6-4-5-7-20(19)16-23/h4-7,9-10,12-14,17,23H,3,8,11,15-16H2,1-2H3