ethyl 2-nitro-3-(5-phenylmethoxy-1H-indol-3-yl)propanoate

Systemtic Name: ethyl 2-nitro-3-(5-phenylmethoxy-1H-indol-3-yl)propanoate Openeye Name: ethyl 3-(5-benzyloxy-1H-indol-3-yl)-2-nitro-propanoate CAS Name: 2-nitro-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-nitro-3-(5-phenylmethoxy-1H-indol-3-yl)propanoate Traditional Name: 3-(5-benzoxy-1H-indol-3-yl)-2-nitro-propionic acid ethyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-2-26-20(23)19(22(24)25)10-15-12-21-18-9-8-16(11-17(15)18)27-13-14-6-4-3-5-7-14/h3-9,11-12,19,21H,2,10,13H2,1H3